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

Systemtic Name: methyl 2-[2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylethanoate Openeye Name: methyl 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]acetic acid methyl ester IUPAC Name: methyl 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]acetic acid methyl ester Formula: C13H14F3N3O2S MolecularWeight: 333.32937

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C2C(=CC(=NC2=N1)SCC(=O)OC)C(F)(F)F

Isomeric SMILES

CC(C)N1C=C2C(=CC(=NC2=N1)SCC(=O)OC)C(F)(F)F

InChI

InChI=1S/C13H14F3N3O2S/c1-7(2)19-5-8-9(13(14,15)16)4-10(17-12(8)18-19)22-6-11(20)21-3/h4-5,7H,6H2,1-3H3