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

Systemtic Name: 3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoic acid Openeye Name: 3-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]butanoic acid CAS Name: 3-[[5-(trifluoromethyl)-2-pyridinyl]thio]butanoic acid IUPAC Name: 3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoic acid Traditional Name: 3-[[5-(trifluoromethyl)-2-pyridyl]thio]butyric acid Formula: C10H10F3NO2S MolecularWeight: 265.25211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)SC1=NC=C(C=C1)C(F)(F)F

Isomeric SMILES

CC(CC(=O)O)SC1=NC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C10H10F3NO2S/c1-6(4-9(15)16)17-8-3-2-7(5-14-8)10(11,12)13/h2-3,5-6H,4H2,1H3,(H,15,16)