iron(2+); (Z)-2-nitroso-N-oxidanidyl-1,2-diphenyl-ethenamine; 1,3-thiazol-2-amine

Systemtic Name: iron(2+); (Z)-2-nitroso-N-oxidanidyl-1,2-diphenyl-ethenamine; 1,3-thiazol-2-amine Openeye Name: ferrous; (Z)-2-nitroso-N-oxido-1,2-diphenyl-ethenamine; thiazol-2-amine CAS Name: iron(2+); (Z)-2-nitroso-N-oxido-1,2-diphenylethenamine; 2-thiazolamine IUPAC Name: iron(2+); (Z)-2-nitroso-N-oxido-1,2-diphenylethenamine; 1,3-thiazol-2-amine Traditional Name: ferrous; [(Z)-2-nitroso-1,2-diphenyl-vinyl]-oxido-amine; thiazol-2-ylamine Formula: C34H30FeN8O4S2 MolecularWeight: 734.6282

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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-].C1=CSC(=N1)N.C1=CSC(=N1)N.[Fe+2]

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-].C1=CSC(=N1)N.C1=CSC(=N1)N.[Fe+2]

InChI

InChI=1S/2C14H11N2O2.2C3H4N2S.Fe/c2*17-15-13(11-7-3-1-4-8-11)14(16-18)12-9-5-2-6-10-12;2*4-3-5-1-2-6-3;/h2*1-10,15H;2*1-2H,(H2,4,5);/q2*-1;;;+2/b2*14-13-;;;