methyl 4-[[3-cyano-6-(furan-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[3-cyano-6-(furan-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[3-cyano-6-(2-furyl)-4-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]benzoate CAS Name: 4-[[[3-cyano-6-(2-furanyl)-4-(trifluoromethyl)-2-pyridinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-cyano-6-(furan-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[3-cyano-6-(2-furyl)-4-(trifluoromethyl)-2-pyridyl]thio]methyl]benzoic acid methyl ester Formula: C20H13F3N2O3S MolecularWeight: 418.38903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=C(C(=CC(=N2)C3=CC=CO3)C(F)(F)F)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=C(C(=CC(=N2)C3=CC=CO3)C(F)(F)F)C#N

InChI

InChI=1S/C20H13F3N2O3S/c1-27-19(26)13-6-4-12(5-7-13)11-29-18-14(10-24)15(20(21,22)23)9-16(25-18)17-3-2-8-28-17/h2-9H,11H2,1H3