N-(4-bromophenyl)-2-({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

SpectraBase Compound ID	EdiNyfiaGU
InChI	InChI=1S/C20H21BrN4O2S/c1-3-25-18(12-27-17-10-4-14(2)5-11-17)23-24-20(25)28-13-19(26)22-16-8-6-15(21)7-9-16/h4-11H,3,12-13H2,1-2H3,(H,22,26)
InChIKey	NLBZDHBOSADEAJ-UHFFFAOYSA-N Google Search
Mol Weight	461.38 g/mol
Molecular Formula	C20H21BrN4O2S
Exact Mass	460.05686 g/mol

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SpectraBase Spectrum ID	66bPIfLPhtE
Name	N-(4-bromophenyl)-2-({4-ethyl-5-[(4-methylphenoxy)methyl]-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/C20H21BrN4O2S/c1-3-25-18(12-27-17-10-4-14(2)5-11-17)23-24-20(25)28-13-19(26)22-16-8-6-15(21)7-9-16/h4-11H,3,12-13H2,1-2H3,(H,22,26)
InChIKey	NLBZDHBOSADEAJ-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11389
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: E06916; Labnumber: GRES-31652; SBI_ID: SBI-011392
Temperature	318 °C