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

Systemtic Name: 4-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzoate Openeye Name: 4-[3-methyl-6-(2-thienyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzoate CAS Name: 4-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)-1-pyrazolo[3,4-b]pyridinyl]benzoate IUPAC Name: 4-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzoate Traditional Name: 4-[3-methyl-6-(2-thienyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzoate Formula: C19H11F3N3O2S- MolecularWeight: 402.36975

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C19H12F3N3O2S/c1-10-16-13(19(20,21)22)9-14(15-3-2-8-28-15)23-17(16)25(24-10)12-6-4-11(5-7-12)18(26)27/h2-9H,1H3,(H,26,27)/p-1