2-[[2-dimethylaminoethyl(ethyl)amino]methyl]-4-methyl-6-[(2H-pyridin-1-id-2-ylmethylamino)methylidene]cyclohexa-2,4-dien-1-one; ethane-1,1-diol; methanol; nickel(2+); nickel(3+); diisothiocyanate

Systemtic Name: 2-[[2-dimethylaminoethyl(ethyl)amino]methyl]-4-methyl-6-[(2H-pyridin-1-id-2-ylmethylamino)methylidene]cyclohexa-2,4-dien-1-one; ethane-1,1-diol; methanol; nickel(2+); nickel(3+); diisothiocyanate Openeye Name: nickelic; nickelous; 2-[[2-dimethylaminoethyl(ethyl)amino]methyl]-4-methyl-6-[(2H-pyridin-1-id-2-ylmethylamino)methylene]cyclohexa-2,4-dien-1-one; ethane-1,1-diol; methanol; diisothiocyanate CAS Name: 2-[[2-dimethylaminoethyl(ethyl)amino]methyl]-4-methyl-6-[(2H-pyridin-1-id-2-ylmethylamino)methylidene]-1-cyclohexa-2,4-dienone; ethane-1,1-diol; methanol; nickel(2+); nickel(3+); diisothiocyanate IUPAC Name: 2-[[2-dimethylaminoethyl(ethyl)amino]methyl]-4-methyl-6-[(2H-pyridin-1-id-2-ylmethylamino)methylidene]cyclohexa-2,4-dien-1-one; ethane-1,1-diol; methanol; nickel(2+); nickel(3+); diisothiocyanate Traditional Name: nickelic; nickelous; 2-[[2-dimethylaminoethyl(ethyl)amino]methyl]-4-methyl-6-[(2H-pyridin-1-id-2-ylmethylamino)methylene]cyclohexa-2,4-dien-1-one; ethane-1,1-diol; methanol; diisothiocyanate Formula: C26H41N6Ni2O4S2+2 MolecularWeight: 683.15834

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN(C)C)CC1=CC(=CC(=CNCC2C=CC=C[N-]2)C1=O)C.CC(O)O.CO.C(=[N-])=S.C(=[N-])=S.[Ni+2].[Ni+3]

Isomeric SMILES

CCN(CCN(C)C)CC1=CC(=CC(=CNCC2C=CC=C[N-]2)C1=O)C.CC(O)O.CO.C(=[N-])=S.C(=[N-])=S.[Ni+2].[Ni+3]

InChI

InChI=1S/C21H31N4O.C2H6O2.2CNS.CH4O.2Ni/c1-5-25(11-10-24(3)4)16-19-13-17(2)12-18(21(19)26)14-22-15-20-8-6-7-9-23-20;1-2(3)4;2*2-1-3;1-2;;/h6-9,12-14,20H,5,10-11,15-16H2,1-4H3,(H,22,26);2-4H,1H3;;;2H,1H3;;/q-1;;2*-1;;+2;+3