2-[2-(4-nitrophenyl)ethylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[2-(4-nitrophenyl)ethylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[2-(4-nitrophenyl)ethylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[2-(4-nitrophenyl)ethylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(4-nitrophenyl)ethylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[2-(4-nitrophenyl)ethylthio]nicotinic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H12N2O4S/c17-14(18)12-2-1-8-15-13(12)21-9-7-10-3-5-11(6-4-10)16(19)20/h1-6,8H,7,9H2,(H,17,18)