2-methyl-5-[2-(5-methyl-3-phenyl-1-quinolin-3-yl-6-sulfanylidene-3a,4-dihydropentalen-4-id-2-yl)propan-2-yl]-4-phenyl-6-quinolin-3-yl-3,3a-dihydropentalen-3-ide-1-thione; zirconium(4+); dichloride

Systemtic Name: 2-methyl-5-[2-(5-methyl-3-phenyl-1-quinolin-3-yl-6-sulfanylidene-3a,4-dihydropentalen-4-id-2-yl)propan-2-yl]-4-phenyl-6-quinolin-3-yl-3,3a-dihydropentalen-3-ide-1-thione; zirconium(4+); dichloride Openeye Name: 2-methyl-5-[1-methyl-1-[5-methyl-3-phenyl-1-(3-quinolyl)-6-thioxo-3a,4-dihydropentalen-4-id-2-yl]ethyl]-4-phenyl-6-(3-quinolyl)-3,3a-dihydropentalen-3-ide-1-thione; zirconium(4+); dichloride CAS Name: 2-methyl-5-[2-[5-methyl-3-phenyl-1-(3-quinolinyl)-6-sulfanylidene-3a,4-dihydropentalen-4-id-2-yl]propan-2-yl]-4-phenyl-6-(3-quinolinyl)-3,3a-dihydropentalen-3-ide-1-thione; zirconium(4+); dichloride IUPAC Name: 2-methyl-5-[2-(5-methyl-3-phenyl-1-quinolin-3-yl-6-sulfanylidene-3a,4-dihydropentalen-4-id-2-yl)propan-2-yl]-4-phenyl-6-quinolin-3-yl-3,3a-dihydropentalen-3-ide-1-thione; zirconium(4+); dichloride Traditional Name: 2-methyl-5-[1-methyl-1-[5-methyl-3-phenyl-1-(3-quinolyl)-6-thioxo-3a,4-dihydropentalen-4-id-2-yl]ethyl]-4-phenyl-6-(3-quinolyl)-3,3a-dihydropentalen-3-ide-1-thione; zirconium(4+); dichloride Formula: C51H36Cl2N2S2Zr MolecularWeight: 903.10494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]C2C(=C(C(=C2C1=S)C3=CC4=CC=CC=C4N=C3)C(C)(C)C5=C(C6[C-]=C(C(=S)C6=C5C7=CC8=CC=CC=C8N=C7)C)C9=CC=CC=C9)C1=CC=CC=C1.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=[C-]C2C(=C(C(=C2C1=S)C3=CC4=CC=CC=C4N=C3)C(C)(C)C5=C(C6[C-]=C(C(=S)C6=C5C7=CC8=CC=CC=C8N=C7)C)C9=CC=CC=C9)C1=CC=CC=C1.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C51H36N2S2.2ClH.Zr/c1-29-23-37-41(31-15-7-5-8-16-31)47(43(45(37)49(29)54)35-25-33-19-11-13-21-39(33)52-27-35)51(3,4)48-42(32-17-9-6-10-18-32)38-24-30(2)50(55)46(38)44(48)36-26-34-20-12-14-22-40(34)53-28-36;;;/h5-22,25-28,37-38H,1-4H3;2*1H;/q-2;;;+4/p-2