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

Systemtic Name: methyl 2-[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid methyl ester Formula: C16H10F4N2O2S MolecularWeight: 370.321413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10F4N2O2S/c1-24-14(23)8-25-15-11(7-21)12(16(18,19)20)6-13(22-15)9-2-4-10(17)5-3-9/h2-6H,8H2,1H3