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

Systemtic Name: ethyl 2-[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[3-cyano-6-(p-tolyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(p-tolyl)-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid ethyl ester Formula: C18H15F3N2O2S MolecularWeight: 380.38411

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15F3N2O2S/c1-3-25-16(24)10-26-17-13(9-22)14(18(19,20)21)8-15(23-17)12-6-4-11(2)5-7-12/h4-8H,3,10H2,1-2H3