[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-phenyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)SC

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)SC

InChI

InChI=1S/C25H24N4O3S/c1-16(2)29-24-21(14-26-29)20(13-22(28-24)17-7-5-4-6-8-17)25(31)32-15-23(30)27-18-9-11-19(33-3)12-10-18/h4-14,16H,15H2,1-3H3,(H,27,30)