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Methyl .alpha.-[5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4-thiadiazole-2-ylthio]acetate
SpectraBase Compound ID LGUittV93Vc
InChI InChI=1S/C9H9N5O4S2/c1-13-5(14(16)17)3-10-7(13)8-11-12-9(20-8)19-4-6(15)18-2/h3H,4H2,1-2H3
InChIKey CIAGFSZNFRZAGP-UHFFFAOYSA-N
Mol Weight 315.32 g/mol
Molecular Formula C9H9N5O4S2
Exact Mass 315.009596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfcBaDxdU5a
Name Methyl .alpha.-[5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4-thiadiazole-2-ylthio]acetate
Alternate Name(s) Methyl 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 methyl ester Methyl 2-[[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Methyl 2-[[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Methyl 2-[[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate
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Formula C9H9N5O4S2
InChI InChI=1S/C9H9N5O4S2/c1-13-5(14(16)17)3-10-7(13)8-11-12-9(20-8)19-4-6(15)18-2/h3H,4H2,1-2H3
InChIKey CIAGFSZNFRZAGP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200400926
Molecular Weight 315.322 g/mol
SMILES C(CSc1sc(nn1)-c1ncc([n]1C)[N+](=O)[O-])(=O)OC
SPLASH splash10-0pb9-0692000000-8489a31e61fc3275e8f0
Source of Spectrum APC-338-115-6f
Wiley ID 1770889