methyl 2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: methyl 2-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-phenyl-2-pyridinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(3-cyano-6-phenylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-6-phenyl-2-pyridyl)thio]acetic acid methyl ester Formula: C15H12N2O2S MolecularWeight: 284.33298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=CC(=N1)C2=CC=CC=C2)C#N

Isomeric SMILES

COC(=O)CSC1=C(C=CC(=N1)C2=CC=CC=C2)C#N

InChI

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