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

Systemtic Name: N-(1H-benzimidazol-2-yl)-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-(1H-benzimidazol-2-yl)-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-(1H-benzimidazol-2-yl)-2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-(1H-benzimidazol-2-yl)-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-(1H-benzimidazol-2-yl)-2-[(3,4-dimethylphenyl)thio]nicotinamide Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C21H18N4OS/c1-13-9-10-15(12-14(13)2)27-20-16(6-5-11-22-20)19(26)25-21-23-17-7-3-4-8-18(17)24-21/h3-12H,1-2H3,(H2,23,24,25,26)