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3-(1-(p-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-6-phenyl-7-(1H-1,2,4-triazol-1-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

View entire compound with spectra: 1 MS (GC)

3-(1-(p-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-6-phenyl-7-(1H-1,2,4-triazol-1-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID GuBZUuA82BO
InChI InChI=1S/C21H15ClN10S/c1-13-17(25-29-31(13)16-9-7-15(22)8-10-16)19-26-27-21-32(19)28-18(14-5-3-2-4-6-14)20(33-21)30-12-23-11-24-30/h2-12,20H,1H3
InChIKey IFUBIVHLSSWFRG-UHFFFAOYSA-N
Mol Weight 474.93 g/mol
Molecular Formula C21H15ClN10S
Exact Mass 474.089039 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIlOfsTzROY
Name 3-(1-(p-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-6-phenyl-7-(1H-1,2,4-triazol-1-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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Formula C21H15ClN10S
InChI InChI=1S/C21H15ClN10S/c1-13-17(25-29-31(13)16-9-7-15(22)8-10-16)19-26-27-21-32(19)28-18(14-5-3-2-4-6-14)20(33-21)30-12-23-11-24-30/h2-12,20H,1H3
InChIKey IFUBIVHLSSWFRG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200000149
Molecular Weight 474.934 g/mol
SMILES c12SC(C(=N[n]2c(nn1)-c1nn[n](c1C)-c1ccc(cc1)Cl)c1ccccc1)[n]1ncnc1
SPLASH splash10-0ikj-1900300000-ccfc7054800401115051
Source of Spectrum QA-47-1117-3b
Synonyms 3-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-6-phenyl-7-(1H-1,2,4-triazol-1-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Wiley ID 1795132