2-(3,4-dimethylphenyl)sulfanylpyridine-4-carboxylic acid

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanylpyridine-4-carboxylic acid Openeye Name: 2-(3,4-dimethylphenyl)sulfanylpyridine-4-carboxylic acid CAS Name: 2-[(3,4-dimethylphenyl)thio]-4-pyridinecarboxylic acid IUPAC Name: 2-(3,4-dimethylphenyl)sulfanylpyridine-4-carboxylic acid Traditional Name: 2-[(3,4-dimethylphenyl)thio]isonicotinic acid Formula: C14H13NO2S MolecularWeight: 259.32352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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