6-[(4-methylphenyl)sulfanylmethyl]-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione

Systemtic Name: 6-[(4-methylphenyl)sulfanylmethyl]-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione Openeye Name: 2-phenyl-6-(p-tolylsulfanylmethyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione CAS Name: 6-[[(4-methylphenyl)thio]methyl]-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione IUPAC Name: 6-[(4-methylphenyl)sulfanylmethyl]-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione Traditional Name: 2-phenyl-6-[(p-tolylthio)methyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-quinone Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)C3=C(N2)NN(C3=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)C3=C(N2)NN(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O2S/c1-13-7-9-16(10-8-13)26-12-14-11-17(24)18-19(21-14)22-23(20(18)25)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H2,21,22,24)