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1-(5-bromothiophen-2-yl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

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1-(5-bromothiophen-2-yl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
SpectraBase Compound ID 4DTFioI36ym
InChI InChI=1S/C21H16BrN3O2S2/c1-27-16-9-7-14(8-10-16)20-23-24-21(25(20)15-5-3-2-4-6-15)28-13-17(26)18-11-12-19(22)29-18/h2-12H,13H2,1H3
InChIKey MITJOBQDNUXSGF-UHFFFAOYSA-N
Mol Weight 486.4 g/mol
Molecular Formula C21H16BrN3O2S2
Exact Mass 484.986732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1jFkLnb4yW
Name 1-(5-bromothiophen-2-yl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Alternate Name(s) 1-Ethanone, 1-(5-bromo-2-thienyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]- 1-(5-bromo-2-thiophenyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone 1-(5-bromothiophen-2-yl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone 1-(5-bromo-2-thienyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone 1-(5-bromanylthiophen-2-yl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
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Formula C21H16BrN3O2S2
InChI InChI=1S/C21H16BrN3O2S2/c1-27-16-9-7-14(8-10-16)20-23-24-21(25(20)15-5-3-2-4-6-15)28-13-17(26)18-11-12-19(22)29-18/h2-12H,13H2,1H3
InChIKey MITJOBQDNUXSGF-UHFFFAOYSA-N
Molecular Weight 486.402 g/mol
SMILES c1ccc(-[n]2c(nnc2SCC(c2sc(Br)cc2)=O)-c2ccc(cc2)OC)cc1
SPLASH splash10-0a6r-5920300000-b8064e7982bac9591e15
Source of Spectrum IY-2-4955-4
Wiley ID 1657537