N-(2-cyanoethyl)-N-methyl-2-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-2-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-N-methyl-2-[[1-(phenylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C21H19F3N4OS MolecularWeight: 432.46197

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(F)(F)F

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(F)(F)F

InChI

InChI=1S/C21H19F3N4OS/c1-27(11-5-10-25)19(29)14-30-20-26-17-12-16(21(22,23)24)8-9-18(17)28(20)13-15-6-3-2-4-7-15/h2-4,6-9,12H,5,11,13-14H2,1H3