2-[1-[2,2,2-tris(fluoranyl)ethyl]imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-[2,2,2-tris(fluoranyl)ethyl]imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(2,2,2-trifluoroethyl)-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]thio]acetate Formula: C7H6F3N2O2S- MolecularWeight: 239.19495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=N1)SCC(=O)[O-])CC(F)(F)F

Isomeric SMILES

C1=CN(C(=N1)SCC(=O)[O-])CC(F)(F)F

InChI

InChI=1S/C7H7F3N2O2S/c8-7(9,10)4-12-2-1-11-6(12)15-3-5(13)14/h1-2H,3-4H2,(H,13,14)/p-1