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2-(4-Acetylpiperazin-1-yl)-5-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,3,4-thiadiazole
SpectraBase Compound ID u5SXQJSy2L
InChI InChI=1S/C12H15N7O3S/c1-8(20)17-3-5-18(6-4-17)12-15-14-11(23-12)10-13-7-9(16(10)2)19(21)22/h7H,3-6H2,1-2H3
InChIKey LPWGLHWIFWQFTC-UHFFFAOYSA-N
Mol Weight 337.36 g/mol
Molecular Formula C12H15N7O3S
Exact Mass 337.095709 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H823y8TUtPu
Name 2-(4-Acetylpiperazin-1-yl)-5-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,3,4-thiadiazole
Alternate Name(s) 1-(4-(5-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-yl)piperazin-1-yl)ethanone 1-[4-[5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4-thiadiazol-2-yl]-1-piperazinyl]ethanone 1-[4-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone 1-[4-[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
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Formula C12H15N7O3S
InChI InChI=1S/C12H15N7O3S/c1-8(20)17-3-5-18(6-4-17)12-15-14-11(23-12)10-13-7-9(16(10)2)19(21)22/h7H,3-6H2,1-2H3
InChIKey LPWGLHWIFWQFTC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201000013
Molecular Weight 337.358 g/mol
SMILES c1([n](c(-c2sc(N3CCN(CC3)C(C)=O)nn2)nc1)C)[N+](=O)[O-]
SPLASH splash10-0pbi-9351000000-9afff256cadf2da0a3d8
Source of Spectrum APC-344-182-6g
Wiley ID 1769206