N-(3-methylphenyl)-2-[(1-oxidanidylpyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(3-methylphenyl)-2-[(1-oxidanidylpyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(m-tolyl)-2-[(1-oxidopyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3-methylphenyl)-2-[(1-oxido-4-pyridin-1-iumyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3-methylphenyl)-2-[(1-oxidopyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(m-tolyl)-2-[(1-oxidopyridin-1-ium-4-yl)methylthio]nicotinamide Formula: C19H17N3O2S MolecularWeight: 351.42218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C19H17N3O2S/c1-14-4-2-5-16(12-14)21-18(23)17-6-3-9-20-19(17)25-13-15-7-10-22(24)11-8-15/h2-12H,13H2,1H3,(H,21,23)