N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)carbamodithioate; nickel(2+)

Systemtic Name: N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)carbamodithioate; nickel(2+) Openeye Name: nickelous N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)carbamodithioate CAS Name: N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)carbamodithioate; nickel(2+) IUPAC Name: N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)carbamodithioate; nickel(2+) Traditional Name: nickelous N-(4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)carbamodithioate Formula: C36H24N10NiS4 MolecularWeight: 783.59616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C(=NN=C2C4=CC=CC=C4)NN=C3NC(=S)[S-].C1=CC=C(C=C1)C2=C3C(=NN=C2C4=CC=CC=C4)NN=C3NC(=S)[S-].[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C(=NN=C2C4=CC=CC=C4)NN=C3NC(=S)[S-].C1=CC=C(C=C1)C2=C3C(=NN=C2C4=CC=CC=C4)NN=C3NC(=S)[S-].[Ni+2]

InChI

InChI=1S/2C18H13N5S2.Ni/c2*24-18(25)19-16-14-13(11-7-3-1-4-8-11)15(12-9-5-2-6-10-12)20-22-17(14)23-21-16;/h2*1-10H,(H3,19,21,22,23,24,25);/q;;+2/p-2