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

SpectraBase Compound ID	LqJEjhVwKEe
InChI	InChI=1S/C20H19BrN4O2S/c1-3-10-25-19(14-6-4-9-17(11-14)27-2)23-24-20(25)28-13-18(26)22-16-8-5-7-15(21)12-16/h3-9,11-12H,1,10,13H2,2H3,(H,22,26)
InChIKey	MVWOOHMPWCYZLW-UHFFFAOYSA-N Google Search
Mol Weight	459.36 g/mol
Molecular Formula	C20H19BrN4O2S
Exact Mass	458.04121 g/mol

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SpectraBase Spectrum ID	6dU0wQ0oiC8
Name	2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-bromophenyl)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/C20H19BrN4O2S/c1-3-10-25-19(14-6-4-9-17(11-14)27-2)23-24-20(25)28-13-18(26)22-16-8-5-7-15(21)12-16/h3-9,11-12H,1,10,13H2,2H3,(H,22,26)
InChIKey	MVWOOHMPWCYZLW-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11289
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: E06589; Labnumber: GRES-25433; SBI_ID: SBI-011292
Temperature	308 °C