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

SpectraBase Compound ID	DR5V6XxqMcn
InChI	InChI=1S/C20H18BrClN4OS/c1-3-10-26-19(14-4-7-16(22)8-5-14)24-25-20(26)28-12-18(27)23-17-9-6-15(21)11-13(17)2/h3-9,11H,1,10,12H2,2H3,(H,23,27)
InChIKey	KKWBOGBZSGLFBW-UHFFFAOYSA-N Google Search
Mol Weight	477.81 g/mol
Molecular Formula	C20H18BrClN4OS
Exact Mass	476.007323 g/mol

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SpectraBase Spectrum ID	AiGVNIULsVb
Name	2-{[4-allyl-5-(4-chlorophenyl)-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/C20H18BrClN4OS/c1-3-10-26-19(14-4-7-16(22)8-5-14)24-25-20(26)28-12-18(27)23-17-9-6-15(21)11-13(17)2/h3-9,11H,1,10,12H2,2H3,(H,23,27)
InChIKey	KKWBOGBZSGLFBW-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4548
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: D99151; Labnumber: GRES-32268; SBI_ID: SBI-004550
Temperature	315 °C