N-[(4-acetamidophenyl)methyl]-2-(4-methylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(4-acetamidophenyl)methyl]-2-(4-methylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-[(4-acetamidophenyl)methyl]-2-(p-tolylsulfanyl)pyridine-3-carboxamide CAS Name: N-[(4-acetamidophenyl)methyl]-2-[(4-methylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-(4-acetamidobenzyl)-2-(p-tolylthio)nicotinamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H21N3O2S/c1-15-5-11-19(12-6-15)28-22-20(4-3-13-23-22)21(27)24-14-17-7-9-18(10-8-17)25-16(2)26/h3-13H,14H2,1-2H3,(H,24,27)(H,25,26)