(4S,4aR)-7,7-dimethyl-4-(4-methylsulfanylphenyl)-2-phenyl-4,4a,6,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione

Systemtic Name: (4S,4aR)-7,7-dimethyl-4-(4-methylsulfanylphenyl)-2-phenyl-4,4a,6,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione Openeye Name: (4S,4aR)-7,7-dimethyl-4-(4-methylsulfanylphenyl)-2-phenyl-4,4a,6,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione CAS Name: (4S,4aR)-7,7-dimethyl-4-[4-(methylthio)phenyl]-2-phenyl-4,4a,6,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione IUPAC Name: (4S,4aR)-7,7-dimethyl-4-(4-methylsulfanylphenyl)-2-phenyl-4,4a,6,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione Traditional Name: (4S,4aR)-7,7-dimethyl-4-[4-(methylthio)phenyl]-2-phenyl-4,4a,6,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5-quinone Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2C(C3=C(NC2=C1)NN(C3=O)C4=CC=CC=C4)C5=CC=C(C=C5)SC)C

Isomeric SMILES

CC1(CC(=O)[C@@H]2[C@H](C3=C(NC2=C1)NN(C3=O)C4=CC=CC=C4)C5=CC=C(C=C5)SC)C

InChI

InChI=1S/C25H25N3O2S/c1-25(2)13-18-21(19(29)14-25)20(15-9-11-17(31-3)12-10-15)22-23(26-18)27-28(24(22)30)16-7-5-4-6-8-16/h4-13,20-21,26-27H,14H2,1-3H3/t20-,21-/m1/s1