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5-[[3-(2-aminophenyl)-5-carbethoxy-triazol-4-yl]thio]thiadiazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID EQixlHhT9B2
InChI InChI=1S/C16H16N6O4S2/c1-3-25-14(23)11-13(22(20-18-11)10-8-6-5-7-9(10)17)27-16-12(19-21-28-16)15(24)26-4-2/h5-8H,3-4,17H2,1-2H3
InChIKey FELBPBQAKRCKBD-UHFFFAOYSA-N
Mol Weight 420.46 g/mol
Molecular Formula C16H16N6O4S2
Exact Mass 420.067445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bCImgohAJI
Name 5-[[3-(2-aminophenyl)-5-carbethoxy-triazol-4-yl]thio]thiadiazole-4-carboxylic acid ethyl ester
Alternate Name(s) 5-[[3-(2-aminophenyl)-5-ethoxycarbonyl-4-triazolyl]thio]-4-thiadiazolecarboxylic acid ethyl ester ethyl 5-[3-(2-aminophenyl)-5-ethoxycarbonyl-triazol-4-yl]sulfanylthiadiazole-4-carboxylate ethyl 5-[[3-(2-aminophenyl)-5-ethoxycarbonyl-1,2,3-triazol-4-yl]sulfanyl]-1,2,3-thiadiazole-4-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C16H16N6O4S2
InChI InChI=1S/C16H16N6O4S2/c1-3-25-14(23)11-13(22(20-18-11)10-8-6-5-7-9(10)17)27-16-12(19-21-28-16)15(24)26-4-2/h5-8H,3-4,17H2,1-2H3
InChIKey FELBPBQAKRCKBD-UHFFFAOYSA-N
Molecular Weight 420.462 g/mol
SMILES Nc1c(-[n]2nnc(c2Sc2snnc2C(=O)OCC)C(=O)OCC)cccc1
SPLASH splash10-03di-0900000000-f3ea0ef8f93a667891ea
Source of Spectrum K-2002-1578-5
Wiley ID 1612816