2-[(3-nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(3-nitrophenyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(3-nitrobenzyl)thio]nicotinic acid Formula: C13H10N2O4S MolecularWeight: 290.2945

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H10N2O4S/c16-13(17)11-5-2-6-14-12(11)20-8-9-3-1-4-10(7-9)15(18)19/h1-7H,8H2,(H,16,17)