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

Systemtic Name: (2,4-dichlorophenyl)methyl 3-methyl-1-phenyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (2,4-dichlorophenyl)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 (2,4-dichlorophenyl)methyl ester IUPAC Name: (2,4-dichlorophenyl)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 (2,4-dichlorobenzyl) ester Formula: C25H17Cl2N3O2S MolecularWeight: 494.39238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H17Cl2N3O2S/c1-15-23-19(25(31)32-14-16-9-10-17(26)12-20(16)27)13-21(22-8-5-11-33-22)28-24(23)30(29-15)18-6-3-2-4-7-18/h2-13H,14H2,1H3