2-[2-cyclopentyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylethanoic acid

Systemtic Name: 2-[2-cyclopentyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylethanoic acid Openeye Name: 2-[2-cyclopentyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylacetic acid CAS Name: 2-[[2-cyclopentyl-4-(trifluoromethyl)-6-pyrazolo[3,4-b]pyridinyl]thio]acetic acid IUPAC Name: 2-[2-cyclopentyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylacetic acid Traditional Name: 2-[[2-cyclopentyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]thio]acetic acid Formula: C14H14F3N3O2S MolecularWeight: 345.34007

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=C3C(=CC(=NC3=N2)SCC(=O)O)C(F)(F)F

Isomeric SMILES

C1CCC(C1)N2C=C3C(=CC(=NC3=N2)SCC(=O)O)C(F)(F)F

InChI

InChI=1S/C14H14F3N3O2S/c15-14(16,17)10-5-11(23-7-12(21)22)18-13-9(10)6-20(19-13)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,21,22)