2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylbenzoic acid

Systemtic Name: 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylbenzoic acid Openeye Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]benzoic acid CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]benzoic acid IUPAC Name: 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylbenzoic acid Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]benzoic acid Formula: C15H12N2O2S MolecularWeight: 284.33298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SC2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C15H12N2O2S/c1-9-7-10(2)17-14(12(9)8-16)20-13-6-4-3-5-11(13)15(18)19/h3-7H,1-2H3,(H,18,19)