2-(3-methylphenyl)carbothioylpyridine-3-carboxylic acid

Systemtic Name: 2-(3-methylphenyl)carbothioylpyridine-3-carboxylic acid Openeye Name: 2-(3-methylbenzenecarbothioyl)pyridine-3-carboxylic acid CAS Name: 2-[(3-methylphenyl)-sulfanylidenemethyl]-3-pyridinecarboxylic acid IUPAC Name: 2-(3-methylbenzenecarbothioyl)pyridine-3-carboxylic acid Traditional Name: 2-(3-methylthiobenzoyl)nicotinic acid Formula: C14H11NO2S MolecularWeight: 257.30764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=S)C2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=S)C2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H11NO2S/c1-9-4-2-5-10(8-9)13(18)12-11(14(16)17)6-3-7-15-12/h2-8H,1H3,(H,16,17)