mercury; 1-[3-methyl-1-(8-oxidanylquinolin-5-yl)sulfonyl-4-phenyl-3a,4-dihydropyrazolo[3,4-c]pyrazol-5-yl]ethanone

Systemtic Name: mercury; 1-[3-methyl-1-(8-oxidanylquinolin-5-yl)sulfonyl-4-phenyl-3a,4-dihydropyrazolo[3,4-c]pyrazol-5-yl]ethanone Openeye Name: 1-[1-[(8-hydroxy-5-quinolyl)sulfonyl]-3-methyl-4-phenyl-3a,4-dihydropyrazolo[3,4-c]pyrazol-5-yl]ethanone; mercury CAS Name: 1-[1-[(8-hydroxy-5-quinolinyl)sulfonyl]-3-methyl-4-phenyl-3a,4-dihydropyrazolo[3,4-c]pyrazol-5-yl]ethanone; mercury IUPAC Name: 1-[1-(8-hydroxyquinolin-5-yl)sulfonyl-3-methyl-4-phenyl-3a,4-dihydropyrazolo[3,4-c]pyrazol-5-yl]ethanone; mercury Traditional Name: 1-[1-[(8-hydroxy-5-quinolyl)sulfonyl]-3-methyl-4-phenyl-3a,4-dihydropyrazolo[3,4-c]pyrazol-5-yl]ethanone; mercury Formula: C44H38HgN10O8S2 MolecularWeight: 1099.55472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NN(C(C12)C3=CC=CC=C3)C(=O)C)S(=O)(=O)C4=C5C=CC=NC5=C(C=C4)O.CC1=NN(C2=NN(C(C12)C3=CC=CC=C3)C(=O)C)S(=O)(=O)C4=C5C=CC=NC5=C(C=C4)O.[Hg]

Isomeric SMILES

CC1=NN(C2=NN(C(C12)C3=CC=CC=C3)C(=O)C)S(=O)(=O)C4=C5C=CC=NC5=C(C=C4)O.CC1=NN(C2=NN(C(C12)C3=CC=CC=C3)C(=O)C)S(=O)(=O)C4=C5C=CC=NC5=C(C=C4)O.[Hg]

InChI

InChI=1S/2C22H19N5O4S.Hg/c2*1-13-19-21(15-7-4-3-5-8-15)26(14(2)28)25-22(19)27(24-13)32(30,31)18-11-10-17(29)20-16(18)9-6-12-23-20;/h2*3-12,19,21,29H,1-2H3;