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

Systemtic Name: N-(4-chlorophenyl)-2-[(1-oxidanidylpyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(4-chlorophenyl)-2-[(1-oxidopyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(4-chlorophenyl)-2-[(1-oxido-4-pyridin-1-iumyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(4-chlorophenyl)-2-[(1-oxidopyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(4-chlorophenyl)-2-[(1-oxidopyridin-1-ium-4-yl)methylthio]nicotinamide Formula: C18H14ClN3O2S MolecularWeight: 371.84066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC=[N+](C=C2)[O-])C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC=[N+](C=C2)[O-])C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H14ClN3O2S/c19-14-3-5-15(6-4-14)21-17(23)16-2-1-9-20-18(16)25-12-13-7-10-22(24)11-8-13/h1-11H,12H2,(H,21,23)