azanide; 4-tert-butyl-2-aza-4-azonia-1-azanidacyclopenta-2,4-diene; cadmium; cadmium(2+); tetraisothiocyanate

Systemtic Name: azanide; 4-tert-butyl-2-aza-4-azonia-1-azanidacyclopenta-2,4-diene; cadmium; cadmium(2+); tetraisothiocyanate Openeye Name: azanide; 4-tert-butyl-2-aza-4-azonia-1-azanidacyclopenta-2,4-diene; cadmium; cadmium(2+); tetraisothiocyanate CAS Name: azanide; 4-tert-butyl-2-aza-4-azonia-1-azanidacyclopenta-2,4-diene; cadmium; cadmium(2+); tetraisothiocyanate IUPAC Name: azanide; 4-tert-butyl-2-aza-4-azonia-1-azanidacyclopenta-2,4-diene; cadmium; cadmium(2+); tetraisothiocyanate Traditional Name: azanide; 4-tert-butyl-2-aza-4-azonia-1-azanidacyclopenta-2,4-diene; cadmium; cadmium(2+); tetraisothiocyanate Formula: C22H37Cd3N15S4-4 MolecularWeight: 977.12268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1=C[N-]N=C1.CC(C)(C)[N+]1=C[N-]N=C1.CC(C)(C)[N+]1=C[N-]N=C1.C(=[N-])=S.C(=[N-])=S.C(=[N-])=S.C(=[N-])=S.[NH2-].[NH2-].[Cd].[Cd].[Cd+2]

Isomeric SMILES

CC(C)(C)[N+]1=C[N-]N=C1.CC(C)(C)[N+]1=C[N-]N=C1.CC(C)(C)[N+]1=C[N-]N=C1.C(=[N-])=S.C(=[N-])=S.C(=[N-])=S.C(=[N-])=S.[NH2-].[NH2-].[Cd].[Cd].[Cd+2]

InChI

InChI=1S/3C6H11N3.4CNS.3Cd.2H2N/c3*1-6(2,3)9-4-7-8-5-9;4*2-1-3;;;;;/h3*4-5H,1-3H3;;;;;;;;2*1H2/q;;;4*-1;;;+2;2*-1