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5-[4',5'-bis{[(3''-Trifluoromethylphenylamino]imidazol-2'-ylidene}-1,3-bis(3'-trifluoromethylphenyl)-3,5-dihydro-1H-imidazo[4,5-d]imidazole-2-thione
SpectraBase Compound ID GJ9l2sDARVH
InChI InChI=1S/C35H18F12N8S/c36-32(37,38)17-5-1-9-21(13-17)48-25-26(49-22-10-2-6-18(14-22)33(39,40)41)51-27(50-25)28-52-29-30(53-28)55(24-12-4-8-20(16-24)35(45,46)47)31(56)54(29)23-11-3-7-19(15-23)34(42,43)44/h1-16H,(H,48,50)(H,49,51)
InChIKey LADCSMFVISAASI-UHFFFAOYSA-N
Mol Weight 810.6 g/mol
Molecular Formula C35H18F12N8S
Exact Mass 810.118352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxKPdVdmTpN
Name 5-[4',5'-bis{[(3''-Trifluoromethylphenylamino]imidazol-2'-ylidene}-1,3-bis(3'-trifluoromethylphenyl)-3,5-dihydro-1H-imidazo[4,5-d]imidazole-2-thione
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Formula C35H18F12N8S
InChI InChI=1S/C35H18F12N8S/c36-32(37,38)17-5-1-9-21(13-17)48-25-26(49-22-10-2-6-18(14-22)33(39,40)41)51-27(50-25)28-52-29-30(53-28)55(24-12-4-8-20(16-24)35(45,46)47)31(56)54(29)23-11-3-7-19(15-23)34(42,43)44/h1-16H,(H,48,50)(H,49,51)
InChIKey LADCSMFVISAASI-UHFFFAOYSA-N
Molecular Weight 810.626 g/mol
SMILES N(C1=NC(N=C1Nc1cc(C(F)(F)F)ccc1)=C1N=C2C(=N1)N(C(N2c1cc(C(F)(F)F)ccc1)=S)c1cc(C(F)(F)F)ccc1)c1cc(C(F)(F)F)ccc1
SPLASH splash10-03di-0200000290-aa1c33e152c4a6a071c3
Source of Spectrum U-1997-621-11
Wiley ID 769601