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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2=NC=CC(=C2)C(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)NC2=NC=CC(=C2)C(=O)O

InChI

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