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

Systemtic Name: butyl 2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: butyl 2-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]acetic acid butyl ester Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O2S/c1-3-4-11-23-18(22)13-24-19-16(12-20)9-10-17(21-19)15-7-5-14(2)6-8-15/h5-10H,3-4,11,13H2,1-2H3