ethyl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: ethyl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoate Openeye Name: ethyl 2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]benzoate CAS Name: 2-[[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]benzoate Traditional Name: 2-[[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridyl]thio]methyl]benzoic acid ethyl ester Formula: C21H15F3N2O2S2 MolecularWeight: 448.48121

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

InChI

InChI=1S/C21H15F3N2O2S2/c1-2-28-20(27)14-7-4-3-6-13(14)12-30-19-15(11-25)16(21(22,23)24)10-17(26-19)18-8-5-9-29-18/h3-10H,2,12H2,1H3