gallium N-[(E)-pyrazin-2-ylmethylideneamino]-N-pyrrolidin-1-ylcarbothioyl-ethanamide hexafluorophosphate

Systemtic Name: gallium N-[(E)-pyrazin-2-ylmethylideneamino]-N-pyrrolidin-1-ylcarbothioyl-ethanamide hexafluorophosphate Openeye Name: gallium N-[(E)-pyrazin-2-ylmethyleneamino]-N-(pyrrolidine-1-carbothioyl)acetamide hexafluorophosphate CAS Name: gallium N-[(E)-2-pyrazinylmethylideneamino]-N-[1-pyrrolidinyl(sulfanylidene)methyl]acetamide hexafluorophosphate IUPAC Name: gallium N-[(E)-pyrazin-2-ylmethylideneamino]-N-(pyrrolidine-1-carbothioyl)acetamide hexafluorophosphate Traditional Name: gallium N-[(E)-pyrazin-2-ylmethyleneamino]-N-(pyrrolidine-1-carbothioyl)acetamide hexafluorophosphate Formula: C24H30F6GaN10O2PS2+2 MolecularWeight: 769.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C(=S)N1CCCC1)N=CC2=NC=CN=C2.CC(=O)N(C(=S)N1CCCC1)N=CC2=NC=CN=C2.F[P-](F)(F)(F)(F)F.[Ga+3]

Isomeric SMILES

CC(=O)N(/N=C/C1=NC=CN=C1)C(=S)N2CCCC2.CC(=O)N(/N=C/C1=NC=CN=C1)C(=S)N2CCCC2.F[P-](F)(F)(F)(F)F.[Ga+3]

InChI

InChI=1S/2C12H15N5OS.F6P.Ga/c2*1-10(18)17(12(19)16-6-2-3-7-16)15-9-11-8-13-4-5-14-11;1-7(2,3,4,5)6;/h2*4-5,8-9H,2-3,6-7H2,1H3;;/q;;-1;+3/b2*15-9+;;