2-[(2-methylphenyl)carbothioylamino]pyridine-3-carboxylic acid

Systemtic Name: 2-[(2-methylphenyl)carbothioylamino]pyridine-3-carboxylic acid Openeye Name: 2-[(2-methylbenzenecarbothioyl)amino]pyridine-3-carboxylic acid CAS Name: 2-[[(2-methylphenyl)-sulfanylidenemethyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2-methylbenzenecarbothioyl)amino]pyridine-3-carboxylic acid Traditional Name: 2-[(2-methylthiobenzoyl)amino]nicotinic acid Formula: C14H12N2O2S MolecularWeight: 272.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=S)NC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=S)NC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H12N2O2S/c1-9-5-2-3-6-10(9)13(19)16-12-11(14(17)18)7-4-8-15-12/h2-8H,1H3,(H,17,18)(H,15,16,19)