N,N-dibutylcarbamodithioate; ethyl 2-cyano-3,3-diphenyl-prop-2-enoate; nickel(2+)

Systemtic Name: N,N-dibutylcarbamodithioate; ethyl 2-cyano-3,3-diphenyl-prop-2-enoate; nickel(2+) Openeye Name: nickelous; N,N-dibutylcarbamodithioate; ethyl 2-cyano-3,3-diphenyl-prop-2-enoate CAS Name: 2-cyano-3,3-diphenyl-2-propenoic acid ethyl ester; N,N-dibutylcarbamodithioate; nickel(2+) IUPAC Name: N,N-dibutylcarbamodithioate; ethyl 2-cyano-3,3-diphenylprop-2-enoate; nickel(2+) Traditional Name: nickelous; 2-cyano-3,3-diphenyl-acrylic acid ethyl ester; N,N-dibutylcarbamodithioate Formula: C27H33N2NiO2S2+ MolecularWeight: 540.38652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO2.C9H19NS2.Ni/c1-2-21-18(20)16(13-19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-3-5-7-10(9(11)12)8-6-4-2;/h3-12H,2H2,1H3;3-8H2,1-2H3,(H,11,12);/q;;+2/p-1