N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(p-tolyl)acetamide CAS Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-methylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-(p-tolyl)acetamide Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H19N5OS/c1-15-8-10-17(11-9-15)25(13-5-12-21)18(26)14-27-20-22-19(23-24-20)16-6-3-2-4-7-16/h2-4,6-11H,5,13-14H2,1H3,(H,22,23,24)