2-[1-[(2-cyanophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(3,4-dimethylphenyl)ethanamide

Systemtic Name: 2-[1-[(2-cyanophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-[1-[(2-cyanophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[[1-[(2-cyanophenyl)methyl]-2-benzimidazolyl]thio]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[1-[(2-cyanophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[[1-(2-cyanobenzyl)benzimidazol-2-yl]thio]-N-(3,4-dimethylphenyl)acetamide Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4C#N)C

InChI

InChI=1S/C25H22N4OS/c1-17-11-12-21(13-18(17)2)27-24(30)16-31-25-28-22-9-5-6-10-23(22)29(25)15-20-8-4-3-7-19(20)14-26/h3-13H,15-16H2,1-2H3,(H,27,30)