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2-(4-Benzoylpiperazin-1-yl)-5-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,3,4-thiadiazole
SpectraBase Compound ID KRO2f7rk4Fu
InChI InChI=1S/C17H17N7O3S/c1-21-13(24(26)27)11-18-14(21)15-19-20-17(28-15)23-9-7-22(8-10-23)16(25)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKey MSKSXJXFZKOIME-UHFFFAOYSA-N
Mol Weight 399.43 g/mol
Molecular Formula C17H17N7O3S
Exact Mass 399.111359 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Igfh2wZpZLi
Name 2-(4-Benzoylpiperazin-1-yl)-5-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,3,4-thiadiazole
Alternate Name(s) (4-(5-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-yl)piperazin-1-yl)(phenyl)methanone [4-[5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4-thiadiazol-2-yl]-1-piperazinyl]-phenylmethanone [4-[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-phenylmethanone [4-[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-phenyl-methanone
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Formula C17H17N7O3S
InChI InChI=1S/C17H17N7O3S/c1-21-13(24(26)27)11-18-14(21)15-19-20-17(28-15)23-9-7-22(8-10-23)16(25)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKey MSKSXJXFZKOIME-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201000013
Molecular Weight 399.429 g/mol
SMILES c1([N+](=O)[O-])cnc([n]1C)-c1nnc(s1)N1CCN(CC1)C(c1ccccc1)=O
SPLASH splash10-0a6r-4911000000-7498d359592ba470d8d5
Source of Spectrum APC-344-182-6h
Wiley ID 1769207