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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

InChI

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