copper [[2-[(3-methoxy-2-oxidaniumyl-5-phenyldiazenyl-phenyl)methylidene]hydrazinyl]-sulfaniumylidene-methyl]-phenyl-azanide

Systemtic Name: copper [[2-[(3-methoxy-2-oxidaniumyl-5-phenyldiazenyl-phenyl)methylidene]hydrazinyl]-sulfaniumylidene-methyl]-phenyl-azanide Openeye Name: copper [[2-[(3-methoxy-2-oxonio-5-phenylazo-phenyl)methylene]hydrazino]-sulfoniumylidene-methyl]-phenyl-azanide CAS Name: copper [[2-[(3-methoxy-2-oxonio-5-phenyldiazenylphenyl)methylidene]hydrazinyl]-sulfoniumylidenemethyl]-phenylazanide IUPAC Name: copper [[2-[(3-methoxy-2-oxonio-5-phenyldiazenylphenyl)methylidene]hydrazinyl]-sulfoniumylidenemethyl]-phenylazanide Traditional Name: cupric [[N'-(3-methoxy-2-oxonio-5-phenylazo-benzylidene)hydrazino]-sulfoniumylidene-methyl]-phenyl-azanide Formula: C42H40CuN10O4S2+4 MolecularWeight: 876.5076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)N=NC2=CC=CC=C2)C=NNC(=[SH+])[N-]C3=CC=CC=C3)[OH2+].COC1=C(C(=CC(=C1)N=NC2=CC=CC=C2)C=NNC(=[SH+])[N-]C3=CC=CC=C3)[OH2+].[Cu+2]

Isomeric SMILES

COC1=C(C(=CC(=C1)N=NC2=CC=CC=C2)C=NNC(=[SH+])[N-]C3=CC=CC=C3)[OH2+].COC1=C(C(=CC(=C1)N=NC2=CC=CC=C2)C=NNC(=[SH+])[N-]C3=CC=CC=C3)[OH2+].[Cu+2]

InChI

InChI=1S/2C21H19N5O2S.Cu/c2*1-28-19-13-18(25-24-17-10-6-3-7-11-17)12-15(20(19)27)14-22-26-21(29)23-16-8-4-2-5-9-16;/h2*2-14H,1H3,(H3,22,23,24,25,26,27,29);/q;;+2/p+2