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

Systemtic Name: gallium N-[(Z)-[azanyl(pyridin-2-yl)methylidene]amino]-N'-methyl-carbamimidothioate nitrate Openeye Name: gallium N-[(Z)-[amino(2-pyridyl)methylene]amino]-N'-methyl-carbamimidothioate nitrate CAS Name: gallium N-[(Z)-[amino(2-pyridinyl)methylidene]amino]-N'-methylcarbamimidothioate nitrate IUPAC Name: gallium N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-N'-methylcarbamimidothioate nitrate Traditional Name: gallium N-[(Z)-[amino(2-pyridyl)methylene]amino]-N'-methyl-carbamimidothioate nitrate Formula: C16H20GaN11O3S2 MolecularWeight: 548.2549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H11N5S.Ga.NO3/c2*1-10-8(14)13-12-7(9)6-4-2-3-5-11-6;;2-1(3)4/h2*2-5H,1H3,(H2,9,12)(H2,10,13,14);;/q;;+3;-1/p-2