2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide

SpectraBase Compound ID	9hngmQLkENA
InChI	InChI=1S/C24H21BrFN5OS/c1-16(27-19-12-10-17(25)11-13-19)23-29-30-24(31(23)21-8-3-2-4-9-21)33-15-22(32)28-20-7-5-6-18(26)14-20/h2-14,16,27H,15H2,1H3,(H,28,32)
InChIKey	MMVLRSLRGWZESD-UHFFFAOYSA-N Google Search
Mol Weight	526.43 g/mol
Molecular Formula	C24H21BrFN5OS
Exact Mass	525.063423 g/mol

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SpectraBase Spectrum ID	ANGNZOe5zKl
Name	2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C24H21BrFN5OS/c1-16(27-19-12-10-17(25)11-13-19)23-29-30-24(31(23)21-8-3-2-4-9-21)33-15-22(32)28-20-7-5-6-18(26)14-20/h2-14,16,27H,15H2,1H3,(H,28,32)
InChIKey	MMVLRSLRGWZESD-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_3642
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: UZI/8099741; UBI_ID: UBI-003643
Temperature	308 °C