4-(2-azanyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine; methanol; nickel(2+); isothiocyanate

Systemtic Name: 4-(2-azanyl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine; methanol; nickel(2+); isothiocyanate Openeye Name: nickelous; 4-(2-aminothiazol-4-yl)thiazol-2-amine; methanol; isothiocyanate CAS Name: 4-(2-amino-4-thiazolyl)-2-thiazolamine; methanol; nickel(2+); isothiocyanate IUPAC Name: 4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-amine; methanol; nickel(2+); isothiocyanate Traditional Name: nickelous; [4-(2-aminothiazol-4-yl)thiazol-2-yl]amine; methanol; isothiocyanate Formula: C14H16N9NiOS5+ MolecularWeight: 545.35494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CO.C1=C(N=C(S1)N)C2=CSC(=N2)N.C1=C(N=C(S1)N)C2=CSC(=N2)N.C(=[N-])=S.[Ni+2]

Isomeric SMILES

CO.C1=C(N=C(S1)N)C2=CSC(=N2)N.C1=C(N=C(S1)N)C2=CSC(=N2)N.C(=[N-])=S.[Ni+2]

InChI

InChI=1S/2C6H6N4S2.CNS.CH4O.Ni/c2*7-5-9-3(1-11-5)4-2-12-6(8)10-4;2-1-3;1-2;/h2*1-2H,(H2,7,9)(H2,8,10);;2H,1H3;/q;;-1;;+2