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1-BENZYLIDENEAMINO-2-METHYLTHIO-4-PHENYL-5-(4-PHENYL-3,5-DIOXO-1,2,4-TRIAZOLIDIN-1-YL)-1-IMIDAZOLE
SpectraBase Compound ID DPyxyFxUkIh
InChI InChI=1S/C25H20N6O2S/c1-34-24-27-21(19-13-7-3-8-14-19)22(30(24)26-17-18-11-5-2-6-12-18)31-25(33)29(23(32)28-31)20-15-9-4-10-16-20/h2-17H,1H3,(H,28,32)/b26-17+
InChIKey MXYIWOCVKMNJEP-YZSQISJMSA-N
Mol Weight 468.54 g/mol
Molecular Formula C25H20N6O2S
Exact Mass 468.136845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IqyitoSszGQ
Name 1-[2-(methylthio)-5-phenyl-3-[(E)-(phenylmethylene)amino]-4-imidazolyl]-4-phenyl-1,2,4-triazolidine-3,5-dione
Alternate Name(s) 1-[2-methylsulfanyl-5-phenyl-3-[(E)-(phenylmethylidene)amino]imidazol-4-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione 1-[3-[(E)-benzalamino]-2-(methylthio)-5-phenyl-imidazol-4-yl]-4-phenyl-urazole 1-[3-[(E)-benzylideneamino]-2-methylsulfanyl-5-phenyl-imidazol-4-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione
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Formula C25H20N6O2S
InChI InChI=1S/C25H20N6O2S/c1-34-24-27-21(19-13-7-3-8-14-19)22(30(24)26-17-18-11-5-2-6-12-18)31-25(33)29(23(32)28-31)20-15-9-4-10-16-20/h2-17H,1H3,(H,28,32)/b26-17+
InChIKey MXYIWOCVKMNJEP-YZSQISJMSA-N
Molecular Weight 468.535 g/mol
SMILES N1N(C(N(C1=O)c1ccccc1)=O)c1[n](c(SC)nc1-c1ccccc1)\N=C\c1ccccc1
SPLASH splash10-0fvj-8790800000-739506ff3d4a75f93686
Source of Spectrum Y-33-44-22
Wiley ID 1392372