(E)-2-(carbamothioyldiazenyl)-1,2-diphenyl-ethenolate; nickel(2+)

Systemtic Name: (E)-2-(carbamothioyldiazenyl)-1,2-diphenyl-ethenolate; nickel(2+) Openeye Name: nickelous (E)-2-carbamothioylazo-1,2-diphenyl-ethenolate CAS Name: (E)-2-carbamothioylazo-1,2-diphenylethenolate; nickel(2+) IUPAC Name: (E)-2-(carbamothioyldiazenyl)-1,2-diphenylethenolate; nickel(2+) Traditional Name: nickelous (E)-1,2-diphenyl-2-thiocarbamoylazo-ethenolate Formula: C30H24N6NiO2S2 MolecularWeight: 623.37396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)[O-])N=NC(=S)N.C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)[O-])N=NC(=S)N.[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(\[O-])/C2=CC=CC=C2)/N=NC(=S)N.C1=CC=C(C=C1)/C(=C(\[O-])/C2=CC=CC=C2)/N=NC(=S)N.[Ni+2]

InChI

InChI=1S/2C15H13N3OS.Ni/c2*16-15(20)18-17-13(11-7-3-1-4-8-11)14(19)12-9-5-2-6-10-12;/h2*1-10,19H,(H2,16,20);/q;;+2/p-2/b2*14-13+,18-17?;