dioxidanium; 4-(2-azanyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine; nickel; propanedioic acid

Systemtic Name: dioxidanium; 4-(2-azanyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine; nickel; propanedioic acid Openeye Name: dioxonium; 4-(2-aminothiazol-4-yl)thiazol-2-amine; malonic acid; nickel CAS Name: dioxonium; 4-(2-amino-4-thiazolyl)-2-thiazolamine; nickel; propanedioic acid IUPAC Name: dioxidanium; 4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-amine; nickel; propanedioic acid Traditional Name: dioxonium; [4-(2-aminothiazol-4-yl)thiazol-2-yl]amine; malonic acid; nickel Formula: C9H16N4NiO6S2+2 MolecularWeight: 399.06994

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(S1)N)C2=CSC(=N2)N.C(C(=O)O)C(=O)O.[OH3+].[OH3+].[Ni]

Isomeric SMILES

C1=C(N=C(S1)N)C2=CSC(=N2)N.C(C(=O)O)C(=O)O.[OH3+].[OH3+].[Ni]

InChI

InChI=1S/C6H6N4S2.C3H4O4.Ni.2H2O/c7-5-9-3(1-11-5)4-2-12-6(8)10-4;4-2(5)1-3(6)7;;;/h1-2H,(H2,7,9)(H2,8,10);1H2,(H,4,5)(H,6,7);;2*1H2/p+2