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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=NC2=NN1C)SCC(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=C2C(=CC(=NC2=NN1C)SCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C11H10F3N3O2S/c1-5-9-6(11(12,13)14)3-7(20-4-8(18)19)15-10(9)16-17(5)2/h3H,4H2,1-2H3,(H,18,19)/p-1