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

Systemtic Name: ethyl 2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid ethyl ester Formula: C17H13F3N2O2S MolecularWeight: 366.35753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F3N2O2S/c1-2-24-15(23)10-25-16-12(9-21)13(17(18,19)20)8-14(22-16)11-6-4-3-5-7-11/h3-8H,2,10H2,1H3