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n-Butyl .alpha.-[5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4-thiadiazole-2-ylthio]acetate
SpectraBase Compound ID 5FaADI1x6mo
InChI InChI=1S/C12H15N5O4S2/c1-3-4-5-21-9(18)7-22-12-15-14-11(23-12)10-13-6-8(16(10)2)17(19)20/h6H,3-5,7H2,1-2H3
InChIKey QEYIKVLEUIFAAT-UHFFFAOYSA-N
Mol Weight 357.4 g/mol
Molecular Formula C12H15N5O4S2
Exact Mass 357.056546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B15Y3uyubB2
Name n-Butyl .alpha.-[5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4-thiadiazole-2-ylthio]acetate
Alternate Name(s) Butyl 2-((5-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-yl)thio)acetate 2-[[5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4-thiadiazol-2-yl]thio]acetic acid butyl ester Butyl 2-[[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Butyl 2-[[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Butyl 2-[[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate
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Formula C12H15N5O4S2
InChI InChI=1S/C12H15N5O4S2/c1-3-4-5-21-9(18)7-22-12-15-14-11(23-12)10-13-6-8(16(10)2)17(19)20/h6H,3-5,7H2,1-2H3
InChIKey QEYIKVLEUIFAAT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200400926
Molecular Weight 357.403 g/mol
SMILES C(CSc1sc(nn1)-c1ncc([n]1C)[N+](=O)[O-])(=O)OCCCC
SPLASH splash10-0a4i-0492000000-579be1eadf1cfebe66e1
Source of Spectrum APC-338-115-6i
Wiley ID 1770890