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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5OS/c1-15-7-6-10-18(13-15)25-16(2)22-23-20(25)27-14-19(26)24(12-11-21)17-8-4-3-5-9-17/h3-10,13H,12,14H2,1-2H3