methyl 2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]acetic acid methyl ester Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)OC

InChI

InChI=1S/C16H14N2O2S/c1-11-3-5-12(6-4-11)14-8-7-13(9-17)16(18-14)21-10-15(19)20-2/h3-8H,10H2,1-2H3