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

Systemtic Name: gallium N-[(Z)-[azanyl(pyridin-2-yl)methylidene]amino]-N'-ethyl-carbamimidothioate nitrate Openeye Name: gallium N-[(Z)-[amino(2-pyridyl)methylene]amino]-N'-ethyl-carbamimidothioate nitrate CAS Name: gallium N-[(Z)-[amino(2-pyridinyl)methylidene]amino]-N'-ethylcarbamimidothioate nitrate IUPAC Name: gallium N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-N'-ethylcarbamimidothioate nitrate Traditional Name: gallium N-[(Z)-[amino(2-pyridyl)methylene]amino]-N'-ethyl-carbamimidothioate nitrate Formula: C18H24GaN11O3S2 MolecularWeight: 576.30806

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(NN=C(C1=CC=CC=N1)N)[S-].CCN=C(NN=C(C1=CC=CC=N1)N)[S-].[N+](=O)([O-])[O-].[Ga+3]

Isomeric SMILES

CCN=C([S-])N/N=C(\N)/C1=CC=CC=N1.CCN=C([S-])N/N=C(\N)/C1=CC=CC=N1.[N+](=O)([O-])[O-].[Ga+3]

InChI

InChI=1S/2C9H13N5S.Ga.NO3/c2*1-2-11-9(15)14-13-8(10)7-5-3-4-6-12-7;;2-1(3)4/h2*3-6H,2H2,1H3,(H2,10,13)(H2,11,14,15);;/q;;+3;-1/p-2