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

*Links on SpectraBase are not permalinks.
4-(4-Bromophenyl)-3-mercapto-1-(phenylaminocarbonylmethyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazole
SpectraBase Compound ID JmAur8bpt7S
InChI InChI=1S/C16H13BrN4OS2/c17-11-6-8-13(9-7-11)21-15(23)19-20(16(21)24)10-14(22)18-12-4-2-1-3-5-12/h1-9H,10H2,(H,18,22)(H,19,23)
InChIKey JYYNDPHRLJNDAQ-UHFFFAOYSA-N
Mol Weight 421.33 g/mol
Molecular Formula C16H13BrN4OS2
Exact Mass 419.971416 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 GSv1g6LncuE
Name 4-(4-Bromophenyl)-3-mercapto-1-(phenylaminocarbonylmethyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13BrN4OS2
InChI InChI=1S/C16H13BrN4OS2/c17-11-6-8-13(9-7-11)21-15(23)19-20(16(21)24)10-14(22)18-12-4-2-1-3-5-12/h1-9H,10H2,(H,18,22)(H,19,23)
InChIKey JYYNDPHRLJNDAQ-UHFFFAOYSA-N
Molecular Weight 421.331 g/mol
SMILES N(C(CN1C(N(C(=N1)S)c1ccc(cc1)Br)=S)=O)c1ccccc1
SPLASH splash10-0a4i-9046400000-da225916de258c258f15
Source of Spectrum SO-64-522-8
Synonyms 2-[4-(4-bromophenyl)-3-sulfanyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-phenylacetamide 4-(4-Bromophenyl)-3-mercapto-1-(phenylaminocarbonylmethyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazole triethylamine salt
Wiley ID 1540721