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

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-2-[(3,4-dimethylphenyl)thio]nicotinamide Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C22H20N4OS/c1-14-9-10-16(12-15(14)2)28-22-17(6-5-11-23-22)21(27)24-13-20-25-18-7-3-4-8-19(18)26-20/h3-12H,13H2,1-2H3,(H,24,27)(H,25,26)