5-chloranyl-6-(4-nitrophenyl)sulfanyl-pyridine-3-carboxylic acid

Systemtic Name: 5-chloranyl-6-(4-nitrophenyl)sulfanyl-pyridine-3-carboxylic acid Openeye Name: 5-chloro-6-(4-nitrophenyl)sulfanyl-pyridine-3-carboxylic acid CAS Name: 5-chloro-6-[(4-nitrophenyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 5-chloro-6-(4-nitrophenyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 5-chloro-6-[(4-nitrophenyl)thio]nicotinic acid Formula: C12H7ClN2O4S MolecularWeight: 310.71298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SC2=C(C=C(C=N2)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SC2=C(C=C(C=N2)C(=O)O)Cl

InChI

InChI=1S/C12H7ClN2O4S/c13-10-5-7(12(16)17)6-14-11(10)20-9-3-1-8(2-4-9)15(18)19/h1-6H,(H,16,17)