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3-(3-bromophenyl)-5-[2-nitro-5-(trifluoromethyl)phenyl]sulfanyl-4-phenyl-1,2,4-triazole
SpectraBase Compound ID Ad24mOutPrw
InChI InChI=1S/C21H12BrF3N4O2S/c22-15-6-4-5-13(11-15)19-26-27-20(28(19)16-7-2-1-3-8-16)32-18-12-14(21(23,24)25)9-10-17(18)29(30)31/h1-12H
InChIKey UZNJWXCZWGIALV-UHFFFAOYSA-N
Mol Weight 521.31 g/mol
Molecular Formula C21H12BrF3N4O2S
Exact Mass 519.981644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fr1O01iezEl
Name 3-(3-bromophenyl)-5-[2-nitro-5-(trifluoromethyl)phenyl]sulfanyl-4-phenyl-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H12BrF3N4O2S
InChI InChI=1S/C21H12BrF3N4O2S/c22-15-6-4-5-13(11-15)19-26-27-20(28(19)16-7-2-1-3-8-16)32-18-12-14(21(23,24)25)9-10-17(18)29(30)31/h1-12H
InChIKey UZNJWXCZWGIALV-UHFFFAOYSA-N
Molecular Weight 521.312 g/mol
SMILES c1ccc(-[n]2c(nnc2-c2cc(Br)ccc2)Sc2c(N(=O)=O)ccc(C(F)(F)F)c2)cc1
SPLASH splash10-00fr-9750540000-b9120669fcadcc22eb0f
Synonyms 3-(3-bromophenyl)-5-[[2-nitro-5-(trifluoromethyl)phenyl]thio]-4-phenyl-1,2,4-triazole
Wiley ID 1460130