2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]ethanoate

Systemtic Name: 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]ethanoate Openeye Name: 2-[3-methyl-6-(2-thienyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate CAS Name: 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)-1-pyrazolo[3,4-b]pyridinyl]acetate IUPAC Name: 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate Traditional Name: 2-[3-methyl-6-(2-thienyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetate Formula: C14H9F3N3O2S- MolecularWeight: 340.30037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(F)(F)F)CC(=O)[O-]

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(F)(F)F)CC(=O)[O-]

InChI

InChI=1S/C14H10F3N3O2S/c1-7-12-8(14(15,16)17)5-9(10-3-2-4-23-10)18-13(12)20(19-7)6-11(21)22/h2-5H,6H2,1H3,(H,21,22)/p-1