6-[(2-methylphenyl)carbothioylamino]pyridine-3-carboxylic acid

Systemtic Name: 6-[(2-methylphenyl)carbothioylamino]pyridine-3-carboxylic acid Openeye Name: 6-[(2-methylbenzenecarbothioyl)amino]pyridine-3-carboxylic acid CAS Name: 6-[[(2-methylphenyl)-sulfanylidenemethyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-[(2-methylbenzenecarbothioyl)amino]pyridine-3-carboxylic acid Traditional Name: 6-[(2-methylthiobenzoyl)amino]nicotinic acid Formula: C14H12N2O2S MolecularWeight: 272.32228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=S)NC2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=S)NC2=NC=C(C=C2)C(=O)O

InChI

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