3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoic acid Openeye Name: 3-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]propanoic acid CAS Name: 3-[[5-(trifluoromethyl)-2-pyridinyl]thio]propanoic acid IUPAC Name: 3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[5-(trifluoromethyl)-2-pyridyl]thio]propionic acid Formula: C9H8F3NO2S MolecularWeight: 251.22553

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C(F)(F)F)SCCC(=O)O

Isomeric SMILES

C1=CC(=NC=C1C(F)(F)F)SCCC(=O)O

InChI

InChI=1S/C9H8F3NO2S/c10-9(11,12)6-1-2-7(13-5-6)16-4-3-8(14)15/h1-2,5H,3-4H2,(H,14,15)