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

View entire compound with spectra: 2 MS (GC)

6-(4-bromophenyl)-3-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID ErTz2qH6yS1
InChI InChI=1S/C20H16BrN7S/c1-12-3-9-16(10-4-12)27-13(2)18(22-26-27)19-23-24-20-28(19)25-17(11-29-20)14-5-7-15(21)8-6-14/h3-10H,11H2,1-2H3
InChIKey MYEOJIXLRJTVTQ-UHFFFAOYSA-N
Mol Weight 466.36 g/mol
Molecular Formula C20H16BrN7S
Exact Mass 465.037128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGwkpvxgprH
Name 7H-3-[5-Methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-1,2,3-triazol-4-yl]-6-(p-bromophenyl)-s-triazolo[3,4-b]-1,3,4-thiadiazine
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Formula C20H16BrN7S
InChI InChI=1S/C20H16BrN7S/c1-12-3-9-16(10-4-12)27-13(2)18(22-26-27)19-23-24-20-28(19)25-17(11-29-20)14-5-7-15(21)8-6-14/h3-10H,11H2,1-2H3
InChIKey MYEOJIXLRJTVTQ-UHFFFAOYSA-N
Molecular Weight 466.361 g/mol
SMILES c1([n]2c(nn1)SCC(=N2)c1ccc(cc1)Br)-c1nn[n](c1C)-c1ccc(cc1)C
SPLASH splash10-0udi-4910100000-a5f8ee1786ca530584e6
Source of Spectrum QA-47-543-6
Synonyms 7H-3-[5-Methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-6-(p-bromophenyl)-s-triazolo[3,4-b]-1,3,4-thiadiazine
Wiley ID 863539