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5-(3,5-Di-tert-butyl-4-hydroxyphenyl)-3-(pyridin-3-yl)-5,6-dihydro[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazol-6-yl(4-bromophenyl)methanone

View entire compound with spectra: 1 MS (GC)

5-(3,5-Di-tert-butyl-4-hydroxyphenyl)-3-(pyridin-3-yl)-5,6-dihydro[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazol-6-yl(4-bromophenyl)methanone
SpectraBase Compound ID 2SfvREe33Jr
InChI InChI=1S/C29H30BrN5O2S/c1-28(2,3)21-14-20(15-22(24(21)37)29(4,5)6)34-26(23(36)17-9-11-19(30)12-10-17)38-27-33-32-25(35(27)34)18-8-7-13-31-16-18/h7-16,26,37H,1-6H3
InChIKey QOFIPRSYNNAKBE-UHFFFAOYSA-N
Mol Weight 592.56 g/mol
Molecular Formula C29H30BrN5O2S
Exact Mass 591.130359 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQJSn7fQp38
Name 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)-3-(pyridin-3-yl)-5,6-dihydro[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazol-6-yl(4-bromophenyl)methanone
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Formula C29H30BrN5O2S
InChI InChI=1S/C29H30BrN5O2S/c1-28(2,3)21-14-20(15-22(24(21)37)29(4,5)6)34-26(23(36)17-9-11-19(30)12-10-17)38-27-33-32-25(35(27)34)18-8-7-13-31-16-18/h7-16,26,37H,1-6H3
InChIKey QOFIPRSYNNAKBE-UHFFFAOYSA-N
Molecular Weight 592.556 g/mol
SMILES Oc1c(cc(N2[n]3c(SC2C(c2ccc(cc2)Br)=O)nnc3-c2cnccc2)cc1C(C)(C)C)C(C)(C)C
SPLASH splash10-004i-1910030000-1a7b9a6466bb3110dd9a
Source of Spectrum O1-45-144-6c
Wiley ID 1690312