2-[2-ethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylethanoate

Systemtic Name: 2-[2-ethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylethanoate Openeye Name: 2-[2-ethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylacetate CAS Name: 2-[[2-ethyl-4-(trifluoromethyl)-6-pyrazolo[3,4-b]pyridinyl]thio]acetate IUPAC Name: 2-[2-ethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylacetate Traditional Name: 2-[[2-ethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]thio]acetate Formula: C11H9F3N3O2S- MolecularWeight: 304.26827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=CC(=NC2=N1)SCC(=O)[O-])C(F)(F)F

Isomeric SMILES

CCN1C=C2C(=CC(=NC2=N1)SCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C11H10F3N3O2S/c1-2-17-4-6-7(11(12,13)14)3-8(15-10(6)16-17)20-5-9(18)19/h3-4H,2,5H2,1H3,(H,18,19)/p-1