N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[(3,4-dimethylphenyl)thio]nicotinamide Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C23H22N4OS/c1-15-9-10-17(14-16(15)2)29-23-18(6-5-12-25-23)22(28)24-13-11-21-26-19-7-3-4-8-20(19)27-21/h3-10,12,14H,11,13H2,1-2H3,(H,24,28)(H,26,27)