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

Systemtic Name: 2-[3-methyl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylethanoate Openeye Name: 2-[3-methyl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylacetate CAS Name: 2-[[3-methyl-2-propyl-4-(trifluoromethyl)-6-pyrazolo[3,4-b]pyridinyl]thio]acetate IUPAC Name: 2-[3-methyl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylacetate Traditional Name: 2-[[3-methyl-2-propyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]thio]acetate Formula: C13H13F3N3O2S- MolecularWeight: 332.32143

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C2C(=CC(=NC2=N1)SCC(=O)[O-])C(F)(F)F)C

Isomeric SMILES

CCCN1C(=C2C(=CC(=NC2=N1)SCC(=O)[O-])C(F)(F)F)C

InChI

InChI=1S/C13H14F3N3O2S/c1-3-4-19-7(2)11-8(13(14,15)16)5-9(17-12(11)18-19)22-6-10(20)21/h5H,3-4,6H2,1-2H3,(H,20,21)/p-1