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1-(4-Iodo-phenyl)-3-(4H-[1,2,4]triazol-3-ylsulfanyl)-pyrrolidine-2,5-dione
SpectraBase Compound ID DyKy273rwNd
InChI InChI=1S/C12H9IN4O2S/c13-7-1-3-8(4-2-7)17-10(18)5-9(11(17)19)20-12-14-6-15-16-12/h1-4,6,9H,5H2,(H,14,15,16)
InChIKey KWCMEZRYDCUVGA-UHFFFAOYSA-N
Mol Weight 400.19 g/mol
Molecular Formula C12H9IN4O2S
Exact Mass 399.949092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35cLu5fA6S0
Name 1-(4-Iodo-phenyl)-3-(4H-[1,2,4]triazol-3-ylsulfanyl)-pyrrolidine-2,5-dione
Alternate Name(s) 1-(4-iodophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione 1-(4-iodophenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione 1-(4-iodophenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-quinone 1-(4-Iodophenyl)-3-(4H-1,2,4-triazol-3-ylsulfanyl)-2,5-pyrrolidinedione
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Formula C12H9IN4O2S
InChI InChI=1S/C12H9IN4O2S/c13-7-1-3-8(4-2-7)17-10(18)5-9(11(17)19)20-12-14-6-15-16-12/h1-4,6,9H,5H2,(H,14,15,16)
InChIKey KWCMEZRYDCUVGA-UHFFFAOYSA-N
Molecular Weight 400.194 g/mol
SMILES [nH]1cnnc1SC1C(N(c2ccc(I)cc2)C(C1)=O)=O
SPLASH splash10-0udj-4930000000-975dabfba9f408629fc0
Wiley ID 1459308