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2-(4-Benzylpiperazin-1-yl)-5-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,3,4-thiadiazole
SpectraBase Compound ID 8uc6d6IgBzs
InChI InChI=1S/C17H19N7O2S/c1-21-14(24(25)26)11-18-15(21)16-19-20-17(27-16)23-9-7-22(8-10-23)12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3
InChIKey VQTNPQUUPNQFFE-UHFFFAOYSA-N
Mol Weight 385.45 g/mol
Molecular Formula C17H19N7O2S
Exact Mass 385.132094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 92W1718vOFY
Name 2-(4-Benzylpiperazin-1-yl)-5-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,3,4-thiadiazole
Alternate Name(s) 2-(1-Methyl-5-nitro-2-imidazolyl)-5-[4-(phenylmethyl)-1-piperazinyl]-1,3,4-thiadiazole 2-(4-benzylpiperazin-1-yl)-5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazole 2-(4-benzylpiperazin-1-yl)-5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazole 2-(1-Methyl-5-nitro-imidazol-2-yl)-5-[4-(phenylmethyl)piperazin-1-yl]-1,3,4-thiadiazole
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Formula C17H19N7O2S
InChI InChI=1S/C17H19N7O2S/c1-21-14(24(25)26)11-18-15(21)16-19-20-17(27-16)23-9-7-22(8-10-23)12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3
InChIKey VQTNPQUUPNQFFE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201000013
Molecular Weight 385.446 g/mol
SMILES c1([N+](=O)[O-])cnc([n]1C)-c1sc(nn1)N1CCN(CC1)Cc1ccccc1
SPLASH splash10-0537-6900000000-841edf78a13154f25e8b
Source of Spectrum APC-344-182-6d
Wiley ID 1769203