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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C2C(=CC(=NC2=N1)SCC(=O)OC)C(F)(F)F

Isomeric SMILES

CCCN1C=C2C(=CC(=NC2=N1)SCC(=O)OC)C(F)(F)F

InChI

InChI=1S/C13H14F3N3O2S/c1-3-4-19-6-8-9(13(14,15)16)5-10(17-12(8)18-19)22-7-11(20)21-2/h5-6H,3-4,7H2,1-2H3