N-[4-(cyanomethyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C12H11N5OS MolecularWeight: 273.31364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)CSC2=NC=NN2

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)CSC2=NC=NN2

InChI

InChI=1S/C12H11N5OS/c13-6-5-9-1-3-10(4-2-9)16-11(18)7-19-12-14-8-15-17-12/h1-4,8H,5,7H2,(H,16,18)(H,14,15,17)