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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3)C

InChI

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