gallium N'-[(Z)-[azanyl(pyridin-2-yl)methylidene]amino]carbamimidothioate nitrate

Systemtic Name: gallium N'-[(Z)-[azanyl(pyridin-2-yl)methylidene]amino]carbamimidothioate nitrate Openeye Name: gallium N'-[(Z)-[amino(2-pyridyl)methylene]amino]carbamimidothioate nitrate CAS Name: gallium N'-[(Z)-[amino(2-pyridinyl)methylidene]amino]carbamimidothioate nitrate IUPAC Name: gallium N'-[(Z)-[amino(pyridin-2-yl)methylidene]amino]carbamimidothioate nitrate Traditional Name: gallium N'-[(Z)-[amino(2-pyridyl)methylene]amino]carbamimidothioate nitrate Formula: C14H16GaN11O3S2 MolecularWeight: 520.20174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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