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1-(2-aminophenyl)-5-[[4-(methylcarbamoyl)-5-thiadiazolyl]thio]-4-triazolecarboxylic acid ethyl ester
SpectraBase Compound ID EZSEDvIT2tY
InChI InChI=1S/C15H15N7O3S2/c1-3-25-14(24)11-13(26-15-10(12(23)17-2)19-21-27-15)22(20-18-11)9-7-5-4-6-8(9)16/h4-7H,3,16H2,1-2H3,(H,17,23)
InChIKey OOHYQRJPJJOLHU-UHFFFAOYSA-N
Mol Weight 405.45 g/mol
Molecular Formula C15H15N7O3S2
Exact Mass 405.06778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUFD68j9uZY
Name 1-(2-aminophenyl)-5-[[4-(methylcarbamoyl)-5-thiadiazolyl]thio]-4-triazolecarboxylic acid ethyl ester
Alternate Name(s) 1-(2-aminophenyl)-5-[[4-(methylcarbamoyl)thiadiazol-5-yl]thio]triazole-4-carboxylic acid ethyl ester ethyl 1-(2-aminophenyl)-5-[4-(methylcarbamoyl)thiadiazol-5-yl]sulfanyl-triazole-4-carboxylate ethyl 1-(2-aminophenyl)-5-[[4-(methylcarbamoyl)-1,2,3-thiadiazol-5-yl]sulfanyl]-1,2,3-triazole-4-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C15H15N7O3S2
InChI InChI=1S/C15H15N7O3S2/c1-3-25-14(24)11-13(26-15-10(12(23)17-2)19-21-27-15)22(20-18-11)9-7-5-4-6-8(9)16/h4-7H,3,16H2,1-2H3,(H,17,23)
InChIKey OOHYQRJPJJOLHU-UHFFFAOYSA-N
Molecular Weight 405.451 g/mol
SMILES Nc1c(-[n]2c(Sc3c(C(=O)NC)nns3)c(nn2)C(=O)OCC)cccc1
SPLASH splash10-03di-0900000000-187e78c9b82aaa3cafd3
Source of Spectrum K-2002-1578-5
Wiley ID 1612811