iron; (Z)-2-nitroso-N-oxidanidyl-1,2-diphenyl-ethenamine; thiourea

Systemtic Name: iron; (Z)-2-nitroso-N-oxidanidyl-1,2-diphenyl-ethenamine; thiourea Openeye Name: iron; (Z)-2-nitroso-N-oxido-1,2-diphenyl-ethenamine; thiourea CAS Name: iron; (Z)-2-nitroso-N-oxido-1,2-diphenylethenamine; thiourea IUPAC Name: iron; (Z)-2-nitroso-N-oxido-1,2-diphenylethenamine; thiourea Traditional Name: iron; [(Z)-2-nitroso-1,2-diphenyl-vinyl]-oxido-amine; thiourea Formula: C30H30FeN8O4S2-2 MolecularWeight: 686.5854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)N=O)N[O-].C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)N=O)N[O-].C(=S)(N)N.C(=S)(N)N.[Fe]

Isomeric SMILES

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

InChI

InChI=1S/2C14H11N2O2.2CH4N2S.Fe/c2*17-15-13(11-7-3-1-4-8-11)14(16-18)12-9-5-2-6-10-12;2*2-1(3)4;/h2*1-10,15H;2*(H4,2,3,4);/q2*-1;;;/b2*14-13-;;;