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2-(1-Methyl-2-methylsulfonyl-1H-imidazol-5-yl)-5-ethylsulfonyl-1,3,4-thiadiazole
SpectraBase Compound ID HnJpI49nDkq
InChI InChI=1S/C9H12N4O4S3/c1-4-20(16,17)9-12-11-7(18-9)6-5-10-8(13(6)2)19(3,14)15/h5H,4H2,1-3H3
InChIKey BDRGNEZNPGQAHS-UHFFFAOYSA-N
Mol Weight 336.4 g/mol
Molecular Formula C9H12N4O4S3
Exact Mass 336.002068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F4wNnYSLGpQ
Name 2-(1-Methyl-2-methylsulfonyl-1H-imidazol-5-yl)-5-ethylsulfonyl-1,3,4-thiadiazole
Alternate Name(s) 2-Ethylsulfonyl-5-(3-methyl-2-methylsulfonyl-4-imidazolyl)-1,3,4-thiadiazole 2-Ethylsulfonyl-5-(3-methyl-2-methylsulfonylimidazol-4-yl)-1,3,4-thiadiazole 2-Ethylsulfonyl-5-(3-methyl-2-methylsulfonyl-imidazol-4-yl)-1,3,4-thiadiazole
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Formula C9H12N4O4S3
InChI InChI=1S/C9H12N4O4S3/c1-4-20(16,17)9-12-11-7(18-9)6-5-10-8(13(6)2)19(3,14)15/h5H,4H2,1-3H3
InChIKey BDRGNEZNPGQAHS-UHFFFAOYSA-N
Molecular Weight 336.399 g/mol
SMILES c1(sc(-c2[n](c(S(=O)(=O)C)nc2)C)nn1)S(=O)(=O)CC
SPLASH splash10-0079-7926000000-50a58e122e017c83b41d
Source of Spectrum Y-48-457-10b
Wiley ID 1667704