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

Systemtic Name: methyl 2-[2-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylethanoate Openeye Name: methyl 2-[2-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylacetate CAS Name: 2-[[2-methyl-4-(trifluoromethyl)-6-pyrazolo[3,4-b]pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylacetate Traditional Name: 2-[[2-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]thio]acetic acid methyl ester Formula: C11H10F3N3O2S MolecularWeight: 305.27621

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C2C(=CC(=NC2=N1)SCC(=O)OC)C(F)(F)F

Isomeric SMILES

CN1C=C2C(=CC(=NC2=N1)SCC(=O)OC)C(F)(F)F

InChI

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