N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N(CCC#N)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N(CCC#N)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C21H22N4OS/c1-14-5-6-18-19(12-14)24-21(23-18)27-13-20(26)25(8-4-7-22)17-10-15(2)9-16(3)11-17/h5-6,9-12H,4,8,13H2,1-3H3,(H,23,24)