N-(3,5-dimethylphenyl)-2-[(1-oxidanidylpyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(1-oxidanidylpyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[(1-oxidopyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[(1-oxido-4-pyridin-1-iumyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[(1-oxidopyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(1-oxidopyridin-1-ium-4-yl)methylthio]nicotinamide Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O2S/c1-14-10-15(2)12-17(11-14)22-19(24)18-4-3-7-21-20(18)26-13-16-5-8-23(25)9-6-16/h3-12H,13H2,1-2H3,(H,22,24)