2-(carbamothioylazanidyliminomethyl)-6-methoxy-4-phenyldiazenyl-phenolate; iron(4+)

Systemtic Name: 2-(carbamothioylazanidyliminomethyl)-6-methoxy-4-phenyldiazenyl-phenolate; iron(4+) Openeye Name: 2-(carbamothioylazanidyliminomethyl)-6-methoxy-4-phenylazo-phenolate; iron(4+) CAS Name: 2-(carbamothioylazanidyliminomethyl)-6-methoxy-4-phenyldiazenylphenolate; iron(4+) IUPAC Name: 2-(carbamothioylazanidyliminomethyl)-6-methoxy-4-phenyldiazenylphenolate; iron(4+) Traditional Name: iron(4+); 2-methoxy-4-phenylazo-6-(thiocarbamoylazanidyliminomethyl)phenolate Formula: C30H26FeN10O4S2 MolecularWeight: 710.56704

Click to see the large picture

Descriptors Computed from Structure

Canonical 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]

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*2-9H,1H3,(H4,16,17,18,19,20,21,23);/q;;+4/p-4