5-chloranyl-6-(4-methylphenyl)sulfanyl-pyridine-3-carboxylate

Systemtic Name: 5-chloranyl-6-(4-methylphenyl)sulfanyl-pyridine-3-carboxylate Openeye Name: 5-chloro-6-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 5-chloro-6-[(4-methylphenyl)thio]-3-pyridinecarboxylate IUPAC Name: 5-chloro-6-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 5-chloro-6-(p-tolylthio)nicotinate Formula: C13H9ClNO2S- MolecularWeight: 278.73406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=N2)C(=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=N2)C(=O)[O-])Cl

InChI

InChI=1S/C13H10ClNO2S/c1-8-2-4-10(5-3-8)18-12-11(14)6-9(7-15-12)13(16)17/h2-7H,1H3,(H,16,17)/p-1