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5-[[3-(2-aminophenyl)-5-(methylcarbamoyl)-4-triazolyl]thio]-4-thiadiazolecarboxylic acid ethyl ester
SpectraBase Compound ID 5JcLEWB0VLg
InChI InChI=1S/C15H15N7O3S2/c1-3-25-14(24)11-15(27-21-19-11)26-13-10(12(23)17-2)18-20-22(13)9-7-5-4-6-8(9)16/h4-7H,3,16H2,1-2H3,(H,17,23)
InChIKey NVYVQQBFIYZYKU-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 8RbwLjrdPyC
Name 5-[[3-(2-aminophenyl)-5-(methylcarbamoyl)-4-triazolyl]thio]-4-thiadiazolecarboxylic acid ethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C15H15N7O3S2
InChI InChI=1S/C15H15N7O3S2/c1-3-25-14(24)11-15(27-21-19-11)26-13-10(12(23)17-2)18-20-22(13)9-7-5-4-6-8(9)16/h4-7H,3,16H2,1-2H3,(H,17,23)
InChIKey NVYVQQBFIYZYKU-UHFFFAOYSA-N
Molecular Weight 405.451 g/mol
SMILES N(C(c1nn[n](-c2c(cccc2)N)c1Sc1snnc1C(=O)OCC)=O)C
SPLASH splash10-03di-0900000000-bc422ecfd86d692924c2
Source of Spectrum K-2002-1578-5
Synonyms 5-[[3-(2-aminophenyl)-5-(methylcarbamoyl)triazol-4-yl]thio]thiadiazole-4-carboxylic acid ethyl ester ethyl 5-[3-(2-aminophenyl)-5-(methylcarbamoyl)triazol-4-yl]sulfanylthiadiazole-4-carboxylate ethyl 5-[[3-(2-aminophenyl)-5-(methylcarbamoyl)-1,2,3-triazol-4-yl]sulfanyl]-1,2,3-thiadiazole-4-carboxylate
Wiley ID 1612812