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

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1,3-dimethyl-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 1,3-dimethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(C=C4)SC)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(C=C4)SC)C

InChI

InChI=1S/C24H21N3O3S/c1-15-22-19(24(29)30-14-21(28)17-9-11-18(31-3)12-10-17)13-20(16-7-5-4-6-8-16)25-23(22)27(2)26-15/h4-13H,14H2,1-3H3