6-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 6-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 6-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylic acid CAS Name: 6-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 6-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 6-[(3,4-dimethylphenyl)thio]nicotinic acid Formula: C14H13NO2S MolecularWeight: 259.32352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=NC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=NC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C14H13NO2S/c1-9-3-5-12(7-10(9)2)18-13-6-4-11(8-15-13)14(16)17/h3-8H,1-2H3,(H,16,17)