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

Systemtic Name: 3-[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate Openeye Name: 3-[[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]sulfanyl]propanoate CAS Name: 3-[[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]propanoate IUPAC Name: 3-[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate Traditional Name: 3-[[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)-2-pyridyl]thio]propionate Formula: C19H16F3N2O3S- MolecularWeight: 409.40215

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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)SCCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H17F3N2O3S/c1-2-8-27-13-5-3-12(4-6-13)16-10-15(19(20,21)22)14(11-23)18(24-16)28-9-7-17(25)26/h3-6,10H,2,7-9H2,1H3,(H,25,26)/p-1