2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: 2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]acetate IUPAC Name: 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]acetate Formula: C8H4ClF3NO2S- MolecularWeight: 270.63607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC(=C1Cl)SCC(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=C(C=NC(=C1Cl)SCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C8H5ClF3NO2S/c9-5-1-4(8(10,11)12)2-13-7(5)16-3-6(14)15/h1-2H,3H2,(H,14,15)/p-1