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4-(2-bromophenyl)-3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1H-1,2,4-triazole-5(4H)-thione

View entire compound with spectra: 1 MS (GC)

4-(2-bromophenyl)-3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1H-1,2,4-triazole-5(4H)-thione
SpectraBase Compound ID KusmghZzA43
InChI InChI=1S/C17H13BrN6S/c1-11-15(19-22-24(11)12-7-3-2-4-8-12)16-20-21-17(25)23(16)14-10-6-5-9-13(14)18/h2-10H,1H3,(H,21,25)
InChIKey LFBQWZRKNXJGSY-UHFFFAOYSA-N
Mol Weight 413.3 g/mol
Molecular Formula C17H13BrN6S
Exact Mass 412.010579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZuOOngUYuq
Name 4-(2-bromophenyl)-3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1H-1,2,4-triazole-5(4H)-thione
Alternate Name(s) 4-(2-bromophenyl)-5-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13BrN6S
InChI InChI=1S/C17H13BrN6S/c1-11-15(19-22-24(11)12-7-3-2-4-8-12)16-20-21-17(25)23(16)14-10-6-5-9-13(14)18/h2-10H,1H3,(H,21,25)
InChIKey LFBQWZRKNXJGSY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200100022
Molecular Weight 413.297 g/mol
SMILES N1N=C(N(C1=S)c1ccccc1Br)c1c([n](nn1)-c1ccccc1)C
SPLASH splash10-000t-2905000000-4a3b1344c41c863c90da
Source of Spectrum QA-48-124-3f
Wiley ID 1795274