[3-(trifluoromethyl)phenyl]methyl 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 3-methyl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-1-phenyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-1-phenyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid [3-(trifluoromethyl)benzyl] ester Formula: C26H18F3N3O2S MolecularWeight: 493.50023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=CC(=CC=C4)C(F)(F)F)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=CC(=CC=C4)C(F)(F)F)C5=CC=CC=C5

InChI

InChI=1S/C26H18F3N3O2S/c1-16-23-20(25(33)34-15-17-7-5-8-18(13-17)26(27,28)29)14-21(22-11-6-12-35-22)30-24(23)32(31-16)19-9-3-2-4-10-19/h2-14H,15H2,1H3