2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)-sulfanyl-methyl]benzoic acid

Systemtic Name: 2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)-sulfanyl-methyl]benzoic acid Openeye Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)-sulfanyl-methyl]benzoic acid CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-mercaptomethyl]benzoic acid IUPAC Name: 2-[(3-cyano-4,6-dimethylpyridin-2-yl)-sulfanylmethyl]benzoic acid Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)-mercapto-methyl]benzoic acid Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)C(C2=CC=CC=C2C(=O)O)S)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)C(C2=CC=CC=C2C(=O)O)S)C

InChI

InChI=1S/C16H14N2O2S/c1-9-7-10(2)18-14(13(9)8-17)15(21)11-5-3-4-6-12(11)16(19)20/h3-7,15,21H,1-2H3,(H,19,20)