N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C13H12ClN5OS MolecularWeight: 321.78528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N(CCC#N)C(=O)CSC2=NC=NN2

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N(CCC#N)C(=O)CSC2=NC=NN2

InChI

InChI=1S/C13H12ClN5OS/c14-10-3-1-4-11(7-10)19(6-2-5-15)12(20)8-21-13-16-9-17-18-13/h1,3-4,7,9H,2,6,8H2,(H,16,17,18)