bis(oxidanylidene)molybdenum; N'-[(3-methoxy-2-oxidaniumyl-5-phenyldiazenyl-phenyl)methylideneamino]carbamimidothioate

Systemtic Name: bis(oxidanylidene)molybdenum; N'-[(3-methoxy-2-oxidaniumyl-5-phenyldiazenyl-phenyl)methylideneamino]carbamimidothioate Openeye Name: dioxomolybdenum; N'-[(3-methoxy-2-oxonio-5-phenylazo-phenyl)methyleneamino]carbamimidothioate CAS Name: dioxomolybdenum; N'-[(3-methoxy-2-oxonio-5-phenyldiazenylphenyl)methylideneamino]carbamimidothioate IUPAC Name: dioxomolybdenum; N'-[(3-methoxy-2-oxonio-5-phenyldiazenylphenyl)methylideneamino]carbamimidothioate Traditional Name: diketomolybdenum; N'-[(3-methoxy-2-oxonio-5-phenylazo-benzylidene)amino]carbamimidothioate Formula: C15H15MoN5O4S MolecularWeight: 457.3157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O2S.Mo.2O/c1-22-13-8-12(19-18-11-5-3-2-4-6-11)7-10(14(13)21)9-17-20-15(16)23;;;/h2-9,21H,1H3,(H3,16,20,23);;;