gallium N,N-dimethyl-N'-[(E)-1-pyrazin-2-ylethylideneamino]carbamimidothioate hexafluorophosphate

Systemtic Name: gallium N,N-dimethyl-N'-[(E)-1-pyrazin-2-ylethylideneamino]carbamimidothioate hexafluorophosphate Openeye Name: gallium N,N-dimethyl-N'-[(E)-1-pyrazin-2-ylethylideneamino]carbamimidothioate hexafluorophosphate CAS Name: gallium N,N-dimethyl-N'-[(E)-1-(2-pyrazinyl)ethylideneamino]carbamimidothioate hexafluorophosphate IUPAC Name: gallium N,N-dimethyl-N'-[(E)-1-pyrazin-2-ylethylideneamino]carbamimidothioate hexafluorophosphate Traditional Name: gallium N,N-dimethyl-N'-[(E)-1-pyrazin-2-ylethylideneamino]carbamimidothioate hexafluorophosphate Formula: C18H24F6GaN10PS2 MolecularWeight: 659.26734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=N\N=C(/[S-])\N(C)C)/C1=NC=CN=C1.C/C(=N\N=C(/[S-])\N(C)C)/C1=NC=CN=C1.F[P-](F)(F)(F)(F)F.[Ga+3]

InChI

InChI=1S/2C9H13N5S.F6P.Ga/c2*1-7(8-6-10-4-5-11-8)12-13-9(15)14(2)3;1-7(2,3,4,5)6;/h2*4-6H,1-3H3,(H,13,15);;/q;;-1;+3/p-2/b2*12-7+;;