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

Systemtic Name: gallium N'-phenyl-N-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate nitrate Openeye Name: gallium N'-phenyl-N-[(E)-1-(2-pyridyl)ethylideneamino]carbamimidothioate nitrate CAS Name: gallium N'-phenyl-N-[(E)-1-(2-pyridinyl)ethylideneamino]carbamimidothioate nitrate IUPAC Name: gallium N'-phenyl-N-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate nitrate Traditional Name: gallium N'-phenyl-N-[(E)-1-(2-pyridyl)ethylideneamino]carbamimidothioate nitrate Formula: C28H26GaN9O3S2 MolecularWeight: 670.41754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=NC1=CC=CC=C1)[S-])C2=CC=CC=N2.CC(=NNC(=NC1=CC=CC=C1)[S-])C2=CC=CC=N2.[N+](=O)([O-])[O-].[Ga+3]

Isomeric SMILES

C/C(=N\NC(=NC1=CC=CC=C1)[S-])/C2=CC=CC=N2.C/C(=N\NC(=NC1=CC=CC=C1)[S-])/C2=CC=CC=N2.[N+](=O)([O-])[O-].[Ga+3]

InChI

InChI=1S/2C14H14N4S.Ga.NO3/c2*1-11(13-9-5-6-10-15-13)17-18-14(19)16-12-7-3-2-4-8-12;;2-1(3)4/h2*2-10H,1H3,(H2,16,18,19);;/q;;+3;-1/p-2/b2*17-11+;;