iron(4+); N'-[(Z)-(3-methoxy-2-oxidanidyl-5-phenyldiazenyl-phenyl)methylideneamino]carbamimidothioate

Systemtic Name: iron(4+); N'-[(Z)-(3-methoxy-2-oxidanidyl-5-phenyldiazenyl-phenyl)methylideneamino]carbamimidothioate Openeye Name: iron(4+); N'-[(Z)-(3-methoxy-2-oxido-5-phenylazo-phenyl)methyleneamino]carbamimidothioate CAS Name: iron(4+); N'-[(Z)-(3-methoxy-2-oxido-5-phenyldiazenylphenyl)methylideneamino]carbamimidothioate IUPAC Name: iron(4+); N'-[(Z)-(3-methoxy-2-oxido-5-phenyldiazenylphenyl)methylideneamino]carbamimidothioate Traditional Name: iron(4+); N'-[(Z)-(3-methoxy-2-oxido-5-phenylazo-benzylidene)amino]carbamimidothioate Formula: C30H26FeN10O4S2 MolecularWeight: 710.56704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)N=NC2=CC=CC=C2)C=NN=C(N)[S-])[O-].COC1=C(C(=CC(=C1)N=NC2=CC=CC=C2)C=NN=C(N)[S-])[O-].[Fe+4]

Isomeric SMILES

COC1=C(C(=CC(=C1)N=NC2=CC=CC=C2)/C=N\N=C(\[S-])/N)[O-].COC1=C(C(=CC(=C1)N=NC2=CC=CC=C2)/C=N\N=C(\[S-])/N)[O-].[Fe+4]

InChI

InChI=1S/2C15H15N5O2S.Fe/c2*1-22-13-8-12(19-18-11-5-3-2-4-6-11)7-10(14(13)21)9-17-20-15(16)23;/h2*2-9,21H,1H3,(H3,16,20,23);/q;;+4/p-4/b2*17-9-,19-18?;