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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H21N5OS/c1-17-23-24-21(26(17)15-18-9-4-2-5-10-18)28-16-20(27)25(14-8-13-22)19-11-6-3-7-12-19/h2-7,9-12H,8,14-16H2,1H3