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5-[3-(2-aminophenyl)-5-(methylcarbamoyl)triazol-4-yl]sulfanyl-N-methyl-thiadiazole-4-carboxamide
SpectraBase Compound ID F3GXszCFsDB
InChI InChI=1S/C14H14N8O2S2/c1-16-11(23)9-13(25-14-10(12(24)17-2)19-21-26-14)22(20-18-9)8-6-4-3-5-7(8)15/h3-6H,15H2,1-2H3,(H,16,23)(H,17,24)
InChIKey XPYXSMSPWRNJBB-UHFFFAOYSA-N
Mol Weight 390.44 g/mol
Molecular Formula C14H14N8O2S2
Exact Mass 390.068114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K81bN83HQOe
Name 5-[3-(2-aminophenyl)-5-(methylcarbamoyl)triazol-4-yl]sulfanyl-N-methyl-thiadiazole-4-carboxamide
Alternate Name(s) 5-[[3-(2-aminophenyl)-5-(methylcarbamoyl)-1,2,3-triazol-4-yl]sulfanyl]-N-methyl-1,2,3-thiadiazole-4-carboxamide 5-[[3-(2-aminophenyl)-5-(methylcarbamoyl)-4-triazolyl]thio]-N-methyl-4-thiadiazolecarboxamide 5-[[3-(2-aminophenyl)-5-(methylcarbamoyl)triazol-4-yl]thio]-N-methyl-thiadiazole-4-carboxamide
Comments Less than 3 mono-isotopic peaks
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Formula C14H14N8O2S2
InChI InChI=1S/C14H14N8O2S2/c1-16-11(23)9-13(25-14-10(12(24)17-2)19-21-26-14)22(20-18-9)8-6-4-3-5-7(8)15/h3-6H,15H2,1-2H3,(H,16,23)(H,17,24)
InChIKey XPYXSMSPWRNJBB-UHFFFAOYSA-N
Molecular Weight 390.440 g/mol
SMILES N(C(c1nn[n](c1Sc1c(C(=O)NC)nns1)-c1c(N)cccc1)=O)C
SPLASH splash10-03di-0900000000-94662d3bf7876ad09175
Source of Spectrum K-2002-1578-5
Wiley ID 1612814