2-[(4-methylsulfanylphenyl)amino]pyridine-3-carboxylic acid

Systemtic Name: 2-[(4-methylsulfanylphenyl)amino]pyridine-3-carboxylic acid Openeye Name: 2-(4-methylsulfanylanilino)pyridine-3-carboxylic acid CAS Name: 2-[4-(methylthio)anilino]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-methylsulfanylanilino)pyridine-3-carboxylic acid Traditional Name: 2-[4-(methylthio)anilino]nicotinic acid Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H12N2O2S/c1-18-10-6-4-9(5-7-10)15-12-11(13(16)17)3-2-8-14-12/h2-8H,1H3,(H,14,15)(H,16,17)