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

Systemtic Name: N-(2-cyanoethyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H21N5OS/c1-16-9-6-7-12-18(16)20-23-24-21(25(20)2)28-15-19(27)26(14-8-13-22)17-10-4-3-5-11-17/h3-7,9-12H,8,14-15H2,1-2H3