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

Systemtic Name: N-(4-fluoranyl-3-methyl-phenyl)-2-[(1-oxidanidylpyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(4-fluoro-3-methyl-phenyl)-2-[(1-oxidopyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(4-fluoro-3-methylphenyl)-2-[(1-oxido-4-pyridin-1-iumyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(4-fluoro-3-methylphenyl)-2-[(1-oxidopyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(4-fluoro-3-methyl-phenyl)-2-[(1-oxidopyridin-1-ium-4-yl)methylthio]nicotinamide Formula: C19H16FN3O2S MolecularWeight: 369.412643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16FN3O2S/c1-13-11-15(4-5-17(13)20)22-18(24)16-3-2-8-21-19(16)26-12-14-6-9-23(25)10-7-14/h2-11H,12H2,1H3,(H,22,24)