5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-1-[1-(phenylsulfonyl)cyclopentyl]carbonyl-pyrazol-3-one

Systemtic Name: 5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-1-[1-(phenylsulfonyl)cyclopentyl]carbonyl-pyrazol-3-one Openeye Name: 1-[1-(benzenesulfonyl)cyclopentanecarbonyl]-5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-one CAS Name: 1-[[1-(benzenesulfonyl)cyclopentyl]-oxomethyl]-5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolone IUPAC Name: 1-[1-(benzenesulfonyl)cyclopentanecarbonyl]-5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-one Traditional Name: 1-(1-besylcyclopentanecarbonyl)-5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolin-3-one Formula: C28H25N3O6S2 MolecularWeight: 563.6446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C(=O)C2(CCCC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)SC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C(=O)C2(CCCC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)SC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C28H25N3O6S2/c1-20-25(38-24-17-9-8-16-23(24)31(34)35)26(32)30(21-12-4-2-5-13-21)29(20)27(33)28(18-10-11-19-28)39(36,37)22-14-6-3-7-15-22/h2-9,12-17H,10-11,18-19H2,1H3