carbamothioyl-[(3-methoxy-2-oxidaniumyl-5-phenyldiazenyl-phenyl)methylideneamino]azanide; iron(4+)

Systemtic Name: carbamothioyl-[(3-methoxy-2-oxidaniumyl-5-phenyldiazenyl-phenyl)methylideneamino]azanide; iron(4+) Openeye Name: carbamothioyl-[(3-methoxy-2-oxonio-5-phenylazo-phenyl)methyleneamino]azanide; iron(4+) CAS Name: carbamothioyl-[(3-methoxy-2-oxonio-5-phenyldiazenylphenyl)methylideneamino]azanide; iron(4+) IUPAC Name: carbamothioyl-[(3-methoxy-2-oxonio-5-phenyldiazenylphenyl)methylideneamino]azanide; iron(4+) Traditional Name: iron(4+); [(3-methoxy-2-oxonio-5-phenylazo-benzylidene)amino]-thiocarbamoyl-azanide Formula: C30H30FeN10O4S2+4 MolecularWeight: 714.5988

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)[OH2+].COC1=C(C(=CC(=C1)N=NC2=CC=CC=C2)C=N[N-]C(=S)N)[OH2+].[Fe+4]

Isomeric SMILES

COC1=C(C(=CC(=C1)N=NC2=CC=CC=C2)C=N[N-]C(=S)N)[OH2+].COC1=C(C(=CC(=C1)N=NC2=CC=CC=C2)C=N[N-]C(=S)N)[OH2+].[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