2-[3-cyano-6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoic acid

Systemtic Name: 2-[3-cyano-6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoic acid Openeye Name: 2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]propanoic acid CAS Name: 2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]thio]propanoic acid IUPAC Name: 2-[3-cyano-6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridyl]thio]propionic acid Formula: C13H11F3N2O2S MolecularWeight: 316.29885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C(C(=CC(=N1)C2CC2)C(F)(F)F)C#N

Isomeric SMILES

CC(C(=O)O)SC1=C(C(=CC(=N1)C2CC2)C(F)(F)F)C#N

InChI

InChI=1S/C13H11F3N2O2S/c1-6(12(19)20)21-11-8(5-17)9(13(14,15)16)4-10(18-11)7-2-3-7/h4,6-7H,2-3H2,1H3,(H,19,20)