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

Systemtic Name: 2-[3-cyano-6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoic acid Openeye Name: 2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid IUPAC Name: 2-[3-cyano-6-cyclopropyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-cyano-6-cyclopropyl-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid Formula: C12H9F3N2O2S MolecularWeight: 302.27227

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9F3N2O2S/c13-12(14,15)8-3-9(6-1-2-6)17-11(7(8)4-16)20-5-10(18)19/h3,6H,1-2,5H2,(H,18,19)