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

Systemtic Name: propyl 2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylethanoate Openeye Name: propyl 2-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]acetic acid propyl ester IUPAC Name: propyl 2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]acetic acid propyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O2S/c1-3-10-22-17(21)12-23-18-15(11-19)8-9-16(20-18)14-6-4-13(2)5-7-14/h4-9H,3,10,12H2,1-2H3