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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

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