(E)-3-azanylidene-3-phenyl-1-phenylazanidyl-prop-1-ene-1-thiolate; nickel; nickel(2+); dihydrate

Systemtic Name: (E)-3-azanylidene-3-phenyl-1-phenylazanidyl-prop-1-ene-1-thiolate; nickel; nickel(2+); dihydrate Openeye Name: nickelous; (E)-3-imino-3-phenyl-1-phenylazanidyl-prop-1-ene-1-thiolate; nickel; dihydrate CAS Name: (E)-3-imino-3-phenyl-1-phenylazanidyl-1-propene-1-thiolate; nickel; nickel(2+); dihydrate IUPAC Name: (E)-3-imino-3-phenyl-1-phenylazanidylprop-1-ene-1-thiolate; nickel; nickel(2+); dihydrate Traditional Name: nickelous; (E)-3-imino-3-phenyl-1-phenylazanidyl-prop-1-ene-1-thiolate; nickel; dihydrate Formula: C30H28N4Ni3O2S2-2 MolecularWeight: 716.77912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H13N2S.3Ni.2H2O/c2*16-14(12-7-3-1-4-8-12)11-15(18)17-13-9-5-2-6-10-13;;;;;/h2*1-11H,(H2-,16,17,18);;;;2*1H2/q2*-1;;;+2;;/p-2