gallium N'-[(E)-(3-azanylpyridin-2-yl)methylideneamino]carbamimidothioate nitrate

Systemtic Name: gallium N'-[(E)-(3-azanylpyridin-2-yl)methylideneamino]carbamimidothioate nitrate Openeye Name: gallium N'-[(E)-(3-amino-2-pyridyl)methyleneamino]carbamimidothioate nitrate CAS Name: gallium N'-[(E)-(3-amino-2-pyridinyl)methylideneamino]carbamimidothioate nitrate IUPAC Name: gallium N'-[(E)-(3-aminopyridin-2-yl)methylideneamino]carbamimidothioate nitrate Traditional Name: gallium N'-[(E)-(3-amino-2-pyridyl)methyleneamino]carbamimidothioate nitrate Formula: C14H16GaN11O3S2 MolecularWeight: 520.20174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)C=NN=C(N)[S-])N.C1=CC(=C(N=C1)C=NN=C(N)[S-])N.[N+](=O)([O-])[O-].[Ga+3]

Isomeric SMILES

C1=CC(=C(N=C1)/C=N/N=C(\[S-])/N)N.C1=CC(=C(N=C1)/C=N/N=C(\[S-])/N)N.[N+](=O)([O-])[O-].[Ga+3]

InChI

InChI=1S/2C7H9N5S.Ga.NO3/c2*8-5-2-1-3-10-6(5)4-11-12-7(9)13;;2-1(3)4/h2*1-4H,8H2,(H3,9,12,13);;/q;;+3;-1/p-2/b2*11-4+;;