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

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

C1CC1C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCC(=O)O

Isomeric SMILES

C1CC1C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCC(=O)O

InChI

InChI=1S/C13H11F3N2O2S/c14-13(15,16)9-5-10(7-1-2-7)18-12(8(9)6-17)21-4-3-11(19)20/h5,7H,1-4H2,(H,19,20)