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

Systemtic Name: ethyl 2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]acetic acid ethyl ester Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O2S/c1-3-21-16(20)11-22-17-14(10-18)8-9-15(19-17)13-6-4-12(2)5-7-13/h4-9H,3,11H2,1-2H3