gallium N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate nitrate

Systemtic Name: gallium N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate nitrate Openeye Name: gallium N'-[(E)-1-(2-pyridyl)ethylideneamino]carbamimidothioate nitrate CAS Name: gallium N'-[(E)-1-(2-pyridinyl)ethylideneamino]carbamimidothioate nitrate IUPAC Name: gallium N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate nitrate Traditional Name: gallium N'-[(E)-1-(2-pyridyl)ethylideneamino]carbamimidothioate nitrate Formula: C16H18GaN9O3S2 MolecularWeight: 518.22562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H10N4S.Ga.NO3/c2*1-6(11-12-8(9)13)7-4-2-3-5-10-7;;2-1(3)4/h2*2-5H,1H3,(H3,9,12,13);;/q;;+3;-1/p-2/b2*11-6+;;