N-[(3-methyl-1-phenyl-5-sulfanidyl-pyrazol-4-yl)-phenyl-methylidene]benzenecarbohydrazonothioate; nickel(2+); triphenylphosphanium

Systemtic Name: N-[(3-methyl-1-phenyl-5-sulfanidyl-pyrazol-4-yl)-phenyl-methylidene]benzenecarbohydrazonothioate; nickel(2+); triphenylphosphanium Openeye Name: nickelous; N-[(3-methyl-1-phenyl-5-sulfido-pyrazol-4-yl)-phenyl-methylene]benzenecarbohydrazonothioate; triphenylphosphonium CAS Name: N-[(3-methyl-1-phenyl-5-sulfido-4-pyrazolyl)-phenylmethylidene]benzenecarbohydrazonothioate; nickel(2+); triphenylphosphonium IUPAC Name: N-[(3-methyl-1-phenyl-5-sulfidopyrazol-4-yl)-phenylmethylidene]benzenecarbohydrazonothioate; nickel(2+); triphenylphosphanium Traditional Name: nickelous; N-[(3-methyl-1-phenyl-5-sulfido-pyrazol-4-yl)-phenyl-methylene]benzenecarbohydrazonothioate; triphenylphosphonium Formula: C42H34N4NiPS2+ MolecularWeight: 748.543321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=NN=C(C2=CC=CC=C2)[S-])C3=CC=CC=C3)[S-])C4=CC=CC=C4.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

Isomeric SMILES

CC1=NN(C(=C1C(=NN=C(C2=CC=CC=C2)[S-])C3=CC=CC=C3)[S-])C4=CC=CC=C4.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Ni+2]

InChI

InChI=1S/C24H20N4S2.C18H15P.Ni/c1-17-21(24(30)28(27-17)20-15-9-4-10-16-20)22(18-11-5-2-6-12-18)25-26-23(29)19-13-7-3-8-14-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h2-16,30H,1H3,(H,26,29);1-15H;/q;;+2/p-1