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

SpectraBase Compound ID	I0uMDxjcj9h
InChI	InChI=1S/C21H21BrN4O2S/c1-4-10-26-20(15-6-5-7-17(12-15)28-3)24-25-21(26)29-13-19(27)23-18-9-8-16(22)11-14(18)2/h4-9,11-12H,1,10,13H2,2-3H3,(H,23,27)
InChIKey	CMNZEIFMLZHFPC-UHFFFAOYSA-N Google Search
Mol Weight	473.39 g/mol
Molecular Formula	C21H21BrN4O2S
Exact Mass	472.05686 g/mol

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SpectraBase Spectrum ID	X3wqfaTfaG
Name	2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-2-methylphenyl)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/C21H21BrN4O2S/c1-4-10-26-20(15-6-5-7-17(12-15)28-3)24-25-21(26)29-13-19(27)23-18-9-8-16(22)11-14(18)2/h4-9,11-12H,1,10,13H2,2-3H3,(H,23,27)
InChIKey	CMNZEIFMLZHFPC-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11299
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: E06600; Labnumber: GRES-25640; SBI_ID: SBI-011302
Temperature	308 °C