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

*Links on SpectraBase are not permalinks.
N-(4-Bromophenyl)-2-[(5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide
SpectraBase Compound ID 1UleGm4IDlR
InChI InChI=1S/C22H16BrClN4OS/c23-16-8-12-18(13-9-16)25-20(29)14-30-22-27-26-21(15-6-10-17(24)11-7-15)28(22)19-4-2-1-3-5-19/h1-13H,14H2,(H,25,29)
InChIKey KMXFQYQBAOOOFQ-UHFFFAOYSA-N
Mol Weight 499.81 g/mol
Molecular Formula C22H16BrClN4OS
Exact Mass 497.991673 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 9vgEJXEWIpc
Name N-(4-Bromophenyl)-2-[(5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetamide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16BrClN4OS
InChI InChI=1S/C22H16BrClN4OS/c23-16-8-12-18(13-9-16)25-20(29)14-30-22-27-26-21(15-6-10-17(24)11-7-15)28(22)19-4-2-1-3-5-19/h1-13H,14H2,(H,25,29)
InChIKey KMXFQYQBAOOOFQ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202000170
Molecular Weight 499.814 g/mol
SMILES N(C(CSc1nnc(-c2ccc(cc2)Cl)[n]1-c1ccccc1)=O)c1ccc(cc1)Br
SPLASH splash10-004l-7749000000-e6208c49c0a225c0d341
Source of Spectrum APC-353-SM16-17
Wiley ID 1855803