N-(2-bromo-4,6-difluorophenyl)-2-{[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

SpectraBase Compound ID	7nO7Xkt26iT
InChI	InChI=1S/C25H21BrF2N4O2S/c1-3-34-19-9-7-18(8-10-19)32-24(16-6-4-5-15(2)11-16)30-31-25(32)35-14-22(33)29-23-20(26)12-17(27)13-21(23)28/h4-13H,3,14H2,1-2H3,(H,29,33)
InChIKey	ZZXHBKSGCNQJJA-UHFFFAOYSA-N Google Search
Mol Weight	559.43 g/mol
Molecular Formula	C25H21BrF2N4O2S
Exact Mass	558.053666 g/mol

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SpectraBase Spectrum ID	6AIxTvaAIt
Name	N-(2-bromo-4,6-difluorophenyl)-2-{[4-(4-ethoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C25H21BrF2N4O2S/c1-3-34-19-9-7-18(8-10-19)32-24(16-6-4-5-15(2)11-16)30-31-25(32)35-14-22(33)29-23-20(26)12-17(27)13-21(23)28/h4-13H,3,14H2,1-2H3,(H,29,33)
InChIKey	ZZXHBKSGCNQJJA-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4964
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: E08433; Labnumber: GRES-37056; SBI_ID: SBI-004966
Temperature	308 °C