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

Systemtic Name: methyl 2-[3-cyano-6-pyridin-3-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[3-cyano-6-(3-pyridyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-cyano-6-pyridin-3-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(3-pyridyl)-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid methyl ester Formula: C15H10F3N3O2S MolecularWeight: 353.31901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10F3N3O2S/c1-23-13(22)8-24-14-10(6-19)11(15(16,17)18)5-12(21-14)9-3-2-4-20-7-9/h2-5,7H,8H2,1H3