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

Systemtic Name: 2-[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate Openeye Name: 2-[[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]acetate IUPAC Name: 2-[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]thio]acetate Formula: C18H14F3N2O3S- MolecularWeight: 395.37557

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)[O-]

InChI

InChI=1S/C18H15F3N2O3S/c1-2-7-26-12-5-3-11(4-6-12)15-8-14(18(19,20)21)13(9-22)17(23-15)27-10-16(24)25/h3-6,8H,2,7,10H2,1H3,(H,24,25)/p-1