For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
SpectraBase Compound ID EC4Dsxr1NWt
InChI InChI=1S/C16H18BrN5S/c1-10-5-4-6-13(9-10)22-14(18-19-16(22)23)7-8-21-12(3)15(17)11(2)20-21/h4-6,9H,7-8H2,1-3H3,(H,19,23)
InChIKey JPDGEIRQGKOCGH-UHFFFAOYSA-N
Mol Weight 392.32 g/mol
Molecular Formula C16H18BrN5S
Exact Mass 391.04663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6fAGLPd3KYc
Name 3-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18BrN5S
InChI InChI=1S/C16H18BrN5S/c1-10-5-4-6-13(9-10)22-14(18-19-16(22)23)7-8-21-12(3)15(17)11(2)20-21/h4-6,9H,7-8H2,1-3H3,(H,19,23)
InChIKey JPDGEIRQGKOCGH-UHFFFAOYSA-N
Molecular Weight 392.319 g/mol
SMILES Sc1[n](c(nn1)CC[n]1c(c(c(n1)C)Br)C)-c1cc(ccc1)C
SPLASH splash10-014i-8490000000-a73e31ae7c9b45ea9c6a
Synonyms 3-[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)ethyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione 3-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-(m-tolyl)-1H-1,2,4-triazole-5-thione 3-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione 5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol 5-[2-(4-Bromo-3,5-dimethyl-pyrazol-1-yl)-ethyl]-4-m-tolyl-4H-[1,2,4]triazole-3-thiol
Wiley ID 1466060