3-[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate

Systemtic Name: 3-[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate Openeye Name: 3-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]propanoate CAS Name: 3-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]propanoate IUPAC Name: 3-[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate Traditional Name: 3-[[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]thio]propionate Formula: C17H12F3N2O3S- MolecularWeight: 381.34899

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCC(=O)[O-]

InChI

InChI=1S/C17H13F3N2O3S/c1-25-11-4-2-10(3-5-11)14-8-13(17(18,19)20)12(9-21)16(22-14)26-7-6-15(23)24/h2-5,8H,6-7H2,1H3,(H,23,24)/p-1