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

Systemtic Name: 2-[2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylethanoate Openeye Name: 2-[2-isopropyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylacetate CAS Name: 2-[[2-propan-2-yl-4-(trifluoromethyl)-6-pyrazolo[3,4-b]pyridinyl]thio]acetate IUPAC Name: 2-[2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylacetate Traditional Name: 2-[[2-isopropyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]thio]acetate Formula: C12H11F3N3O2S- MolecularWeight: 318.29485

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C2C(=CC(=NC2=N1)SCC(=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C)N1C=C2C(=CC(=NC2=N1)SCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H12F3N3O2S/c1-6(2)18-4-7-8(12(13,14)15)3-9(16-11(7)17-18)21-5-10(19)20/h3-4,6H,5H2,1-2H3,(H,19,20)/p-1