methyl 2-[3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate

Systemtic Name: methyl 2-[3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate Openeye Name: methyl 2-[[3-cyano-4-[3-(trifluoromethyl)phenyl]-2-pyridyl]sulfanyl]benzoate CAS Name: 2-[[3-cyano-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[3-cyano-4-[3-(trifluoromethyl)phenyl]pyridin-2-yl]sulfanylbenzoate Traditional Name: 2-[[3-cyano-4-[3-(trifluoromethyl)phenyl]-2-pyridyl]thio]benzoic acid methyl ester Formula: C21H13F3N2O2S MolecularWeight: 414.40033

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2=NC=CC(=C2C#N)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2=NC=CC(=C2C#N)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H13F3N2O2S/c1-28-20(27)16-7-2-3-8-18(16)29-19-17(12-25)15(9-10-26-19)13-5-4-6-14(11-13)21(22,23)24/h2-11H,1H3