4-[(3-cyano-6-methyl-4-phenyl-pyridin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(3-cyano-6-methyl-4-phenyl-pyridin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(3-cyano-6-methyl-4-phenyl-2-pyridyl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)thio]methyl]benzoic acid IUPAC Name: 4-[(3-cyano-6-methyl-4-phenylpyridin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(3-cyano-6-methyl-4-phenyl-2-pyridyl)thio]methyl]benzoic acid Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C2=CC=CC=C2)C#N)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NC(=C(C(=C1)C2=CC=CC=C2)C#N)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H16N2O2S/c1-14-11-18(16-5-3-2-4-6-16)19(12-22)20(23-14)26-13-15-7-9-17(10-8-15)21(24)25/h2-11H,13H2,1H3,(H,24,25)