ethyl 2-[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylacetate CAS Name: 2-[[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)-2-pyridin-1-iumyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-1-ium-2-yl]thio]acetic acid ethyl ester Formula: C17H13F4N2O2S+ MolecularWeight: 385.355933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=CC(=[NH+]1)C2=CC=C(C=C2)F)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(=CC(=[NH+]1)C2=CC=C(C=C2)F)C(F)(F)F)C#N

InChI

InChI=1S/C17H12F4N2O2S/c1-2-25-15(24)9-26-16-12(8-22)13(17(19,20)21)7-14(23-16)10-3-5-11(18)6-4-10/h3-7H,2,9H2,1H3/p+1