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3-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione
SpectraBase Compound ID 9V20o60swiF
InChI InChI=1S/C15H22BrN5S/c1-10-14(16)11(2)20(19-10)9-8-13-17-18-15(22)21(13)12-6-4-3-5-7-12/h12H,3-9H2,1-2H3,(H,18,22)
InChIKey JZKBXZYPPGLRQN-UHFFFAOYSA-N
Mol Weight 384.34 g/mol
Molecular Formula C15H22BrN5S
Exact Mass 383.07793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hFMsDGvJaq
Name 3-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22BrN5S
InChI InChI=1S/C15H22BrN5S/c1-10-14(16)11(2)20(19-10)9-8-13-17-18-15(22)21(13)12-6-4-3-5-7-12/h12H,3-9H2,1-2H3,(H,18,22)
InChIKey JZKBXZYPPGLRQN-UHFFFAOYSA-N
Molecular Weight 384.340 g/mol
SMILES Sc1[n](c(nn1)CC[n]1c(c(c(n1)C)Br)C)C1CCCCC1
SPLASH splash10-056r-9820000000-727ea3c3f7a38d8a2fb8
Synonyms 3-[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)ethyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione 3-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione 5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-cyclohexyl-4H-1,2,4-triazole-3-thiol 5-[2-(4-Bromo-3,5-dimethyl-pyrazol-1-yl)-ethyl]-4-cyclohexyl-4H-[1,2,4]triazole-3-thiol
Wiley ID 1466061