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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3N3O2S/c1-2-3-18-5-7-8(12(13,14)15)4-9(16-11(7)17-18)21-6-10(19)20/h4-5H,2-3,6H2,1H3,(H,19,20)/p-1