[4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)phenyl]urea (CED0316362)

Record Information

Version

1.0

Creation Date

2026-09-01 17:37:36 UTC

Update Date

2026-09-01 17:37:36 UTC

SynCED ID

CED0316362

Secondary Accession Numbers

CHEM362342

Identification

Common Name

[4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)phenyl]urea

Class

Small Molecule

Description

[4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)phenyl]urea is a chemical compound with the formula C9H9N5OS. It has an average molecular weight of 235.27 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₉N₅OS

Average Molecular Mass

Not Available

Monoisotopic Mass

235.053 g/mol

CAS Registry Number

3414-98-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C1=CC(=CC=C1C2=NC(=S)NN2)NC(=O)N

InChI Identifier

InChI=1S/C9H9N5OS/c10-8(15)11-6-3-1-5(2-4-6)7-12-9(16)14-13-7/h1-4H,(H3,10,11,15)(H2,12,13,14,16)

InChI Key

ZQYMUOLZXUSCAN-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1880.0 Log mg/kg [1100:3300]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
No Sources linked to this compound

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.276 Low confidence Statistical Significance 0.212 Supporting Reference Compounds 834 E-value 1650.79
Click to view 3D structure	Protein-tyrosine kinase 2-beta	Q14289	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.316 Statistical Significance 0.1401 Supporting Reference Compounds 414 E-value 1091.06
Click to view 3D structure	LIM domain kinase 1	P53667	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.281 Low confidence Statistical Significance 0.1747 Supporting Reference Compounds 565 E-value 1360.42
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.276 Low confidence Statistical Significance 0.2415 Supporting Reference Compounds 906 E-value 1879.9
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.271 Low confidence Statistical Significance 0.2785 Supporting Reference Compounds 1022 E-value 2167.87
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.271 Low confidence Statistical Significance 0.3029 Supporting Reference Compounds 1274 E-value 2357.98
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.271 Low confidence Statistical Significance 0.3435 Supporting Reference Compounds 1660 E-value 2674.04
Click to view 3D structure	Mast/stem cell growth factor receptor Kit	P10721	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.268 Low confidence Statistical Significance 0.2623 Supporting Reference Compounds 905 E-value 2041.67
Click to view 3D structure	Urokinase-type plasminogen activator	P00749	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.276 Low confidence Statistical Significance 0.0494 Supporting Reference Compounds 151 E-value 384.731
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.271 Low confidence Statistical Significance 0.2389 Supporting Reference Compounds 742 E-value 1859.66
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.271 Low confidence Statistical Significance 0.2867 Supporting Reference Compounds 961 E-value 2231.63
Click to view 3D structure	Fibroblast growth factor receptor 1	P11362	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.271 Low confidence Statistical Significance 0.2837 Supporting Reference Compounds 1010 E-value 2208.35
Click to view 3D structure	Rho-associated protein kinase 2	O75116	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.281 Low confidence Statistical Significance 0.263 Supporting Reference Compounds 811 E-value 2047.12
Click to view 3D structure	Focal adhesion kinase 1	Q05397	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.271 Low confidence Statistical Significance 0.2225 Supporting Reference Compounds 615 E-value 1731.99
Click to view 3D structure	Mitogen-activated protein kinase 8	P45983	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.271 Low confidence Statistical Significance 0.2688 Supporting Reference Compounds 782 E-value 2092.28
Click to view 3D structure	Serine/threonine-protein kinase PAK 4	O96013	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.271 Low confidence Statistical Significance 0.2435 Supporting Reference Compounds 728 E-value 1895.63
Click to view 3D structure	High affinity nerve growth factor receptor	P04629	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.271 Low confidence Statistical Significance 0.2829 Supporting Reference Compounds 869 E-value 2202.35
Click to view 3D structure	BDNF/NT-3 growth factors receptor	Q16620	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.271 Low confidence Statistical Significance 0.2526 Supporting Reference Compounds 721 E-value 1966.7
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.271 Low confidence Statistical Significance 0.3276 Supporting Reference Compounds 1157 E-value 2550.11
Click to view 3D structure	Vascular endothelial growth factor receptor 1	P17948	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.271 Low confidence Statistical Significance 0.2422 Supporting Reference Compounds 711 E-value 1885.2
Click to view 3D structure	Aurora kinase A	O14965	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.271 Low confidence Statistical Significance 0.2896 Supporting Reference Compounds 996 E-value 2254.82
Click to view 3D structure	Tyrosine-protein kinase Fyn	P06241	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.271 Low confidence Statistical Significance 0.2453 Supporting Reference Compounds 707 E-value 1909.33
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.271 Low confidence Statistical Significance 0.3243 Supporting Reference Compounds 1130 E-value 2524.34
Click to view 3D structure	cAMP-dependent protein kinase catalytic subunit alpha	P17612	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.271 Low confidence Statistical Significance 0.2403 Supporting Reference Compounds 735 E-value 1870.72
Click to view 3D structure	Mitogen-activated protein kinase 9	P45984	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.271 Low confidence Statistical Significance 0.2614 Supporting Reference Compounds 758 E-value 2034.75