2-[[2-diethylaminoethyl(methyl)amino]methyl]-4-methyl-6-[[2-(2H-pyridin-1-id-2-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one; ethane-1,1-diol; nickel(2+); isothiocyanate

Systemtic Name: 2-[[2-diethylaminoethyl(methyl)amino]methyl]-4-methyl-6-[[2-(2H-pyridin-1-id-2-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one; ethane-1,1-diol; nickel(2+); isothiocyanate Openeye Name: dinickelous; 2-[[2-diethylaminoethyl(methyl)amino]methyl]-4-methyl-6-[[2-(2H-pyridin-1-id-2-yl)ethylamino]methylene]cyclohexa-2,4-dien-1-one; ethane-1,1-diol; isothiocyanate CAS Name: 2-[[2-diethylaminoethyl(methyl)amino]methyl]-4-methyl-6-[[2-(2H-pyridin-1-id-2-yl)ethylamino]methylidene]-1-cyclohexa-2,4-dienone; ethane-1,1-diol; nickel(2+); isothiocyanate IUPAC Name: 2-[[2-diethylaminoethyl(methyl)amino]methyl]-4-methyl-6-[[2-(2H-pyridin-1-id-2-yl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one; ethane-1,1-diol; nickel(2+); isothiocyanate Traditional Name: dinickelous; 2-[[2-diethylaminoethyl(methyl)amino]methyl]-4-methyl-6-[[2-(2H-pyridin-1-id-2-yl)ethylamino]methylene]cyclohexa-2,4-dien-1-one; ethane-1,1-diol; isothiocyanate Formula: C28H47N5Ni2O5S+2 MolecularWeight: 683.15508

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C)CC1=CC(=CC(=CNCCC2C=CC=C[N-]2)C1=O)C.CC(O)O.CC(O)O.C(=[N-])=S.[Ni+2].[Ni+2]

Isomeric SMILES

CCN(CC)CCN(C)CC1=CC(=CC(=CNCCC2C=CC=C[N-]2)C1=O)C.CC(O)O.CC(O)O.C(=[N-])=S.[Ni+2].[Ni+2]

InChI

InChI=1S/C23H35N4O.2C2H6O2.CNS.2Ni/c1-5-27(6-2)14-13-26(4)18-21-16-19(3)15-20(23(21)28)17-24-12-10-22-9-7-8-11-25-22;2*1-2(3)4;2-1-3;;/h7-9,11,15-17,22H,5-6,10,12-14,18H2,1-4H3,(H,24,28);2*2-4H,1H3;;;/q-1;;;-1;2*+2