4-[(4-bromanylthiophen-2-yl)methylideneamino]benzenethiolate; cyclopenta-1,3-diene; nickel; tributylphosphanium

Systemtic Name: 4-[(4-bromanylthiophen-2-yl)methylideneamino]benzenethiolate; cyclopenta-1,3-diene; nickel; tributylphosphanium Openeye Name: 4-[(4-bromo-2-thienyl)methyleneamino]benzenethiolate; cyclopenta-1,3-diene; nickel; tributylphosphonium CAS Name: 4-[(4-bromo-2-thiophenyl)methylideneamino]benzenethiolate; cyclopenta-1,3-diene; nickel; tributylphosphonium IUPAC Name: 4-[(4-bromothiophen-2-yl)methylideneamino]benzenethiolate; cyclopenta-1,3-diene; nickel; tributylphosphanium Traditional Name: 4-[(4-bromo-2-thienyl)methyleneamino]benzenethiolate; cyclopenta-1,3-diene; nickel; tributylphosphonium Formula: C28H40BrNNiPS2- MolecularWeight: 624.325061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[PH+](CCCC)CCCC.[CH-]1C=CC=C1.C1=CC(=CC=C1N=CC2=CC(=CS2)Br)[S-].[Ni]

Isomeric SMILES

CCCC[PH+](CCCC)CCCC.[CH-]1C=CC=C1.C1=CC(=CC=C1N=CC2=CC(=CS2)Br)[S-].[Ni]

InChI

InChI=1S/C12H27P.C11H8BrNS2.C5H5.Ni/c1-4-7-10-13(11-8-5-2)12-9-6-3;12-8-5-11(15-7-8)6-13-9-1-3-10(14)4-2-9;1-2-4-5-3-1;/h4-12H2,1-3H3;1-7,14H;1-5H;/q;;-1;