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Phenylmethyl .alpha.-[5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4-thiadiazole-2-ylthio]acetate
SpectraBase Compound ID VOoipbyAr1
InChI InChI=1S/C15H13N5O4S2/c1-19-11(20(22)23)7-16-13(19)14-17-18-15(26-14)25-9-12(21)24-8-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3
InChIKey BREMKNJKDQJBLM-UHFFFAOYSA-N
Mol Weight 391.42 g/mol
Molecular Formula C15H13N5O4S2
Exact Mass 391.040896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAwRn1BlpTW
Name Phenylmethyl .alpha.-[5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4-thiadiazole-2-ylthio]acetate
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Formula C15H13N5O4S2
InChI InChI=1S/C15H13N5O4S2/c1-19-11(20(22)23)7-16-13(19)14-17-18-15(26-14)25-9-12(21)24-8-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3
InChIKey BREMKNJKDQJBLM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200400926
Molecular Weight 391.420 g/mol
SMILES C(CSc1sc(nn1)-c1ncc([n]1C)[N+](=O)[O-])(=O)OCc1ccccc1
SPLASH splash10-0a4i-0591000000-c133ab9c6b3553ee2527
Source of Spectrum APC-338-115-6j
Synonyms Benzyl 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 (phenylmethyl) ester Benzyl 2-[[5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Benzyl 2-[[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate (phenylmethyl) 2-[[5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate
Wiley ID 1770891