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

Systemtic Name: (2-cyanophenyl)methyl 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (2-cyanophenyl)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 (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)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 (2-cyanobenzyl) ester Formula: C26H18N4O2S MolecularWeight: 450.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=CC=CC=C4C#N)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=CC=CC=C4C#N)C5=CC=CC=C5

InChI

InChI=1S/C26H18N4O2S/c1-17-24-21(26(31)32-16-19-9-6-5-8-18(19)15-27)14-22(23-12-7-13-33-23)28-25(24)30(29-17)20-10-3-2-4-11-20/h2-14H,16H2,1H3