methyl 4-[(3-cyanopyridin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(3-cyanopyridin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(3-cyano-2-pyridyl)sulfanylmethyl]benzoate CAS Name: 4-[[(3-cyano-2-pyridinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-cyanopyridin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3-cyano-2-pyridyl)thio]methyl]benzoic acid methyl ester Formula: C15H12N2O2S MolecularWeight: 284.33298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O2S/c1-19-15(18)12-6-4-11(5-7-12)10-20-14-13(9-16)3-2-8-17-14/h2-8H,10H2,1H3