2-[(1-oxidanidylpyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(1-oxidanidylpyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(1-oxidopyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(1-oxido-4-pyridin-1-iumyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(1-oxidopyridin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(1-oxidopyridin-1-ium-4-yl)methylthio]nicotinic acid Formula: C12H10N2O3S MolecularWeight: 262.2844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O3S/c15-12(16)10-2-1-5-13-11(10)18-8-9-3-6-14(17)7-4-9/h1-7H,8H2,(H,15,16)