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

SpectraBase Compound ID	4ONpFsbBczX
InChI	InChI=1S/C20H19BrN4OS/c1-3-12-25-19(15-6-4-14(2)5-7-15)23-24-20(25)27-13-18(26)22-17-10-8-16(21)9-11-17/h3-11H,1,12-13H2,2H3,(H,22,26)
InChIKey	QJHSJSDHFBWXNM-UHFFFAOYSA-N Google Search
Mol Weight	443.36 g/mol
Molecular Formula	C20H19BrN4OS
Exact Mass	442.046295 g/mol

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SpectraBase Spectrum ID	5uqZLXd1euJ
Name	2-{[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-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/C20H19BrN4OS/c1-3-12-25-19(15-6-4-14(2)5-7-15)23-24-20(25)27-13-18(26)22-17-10-8-16(21)9-11-17/h3-11H,1,12-13H2,2H3,(H,22,26)
InChIKey	QJHSJSDHFBWXNM-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14560
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: D98696; Labnumber: GRES-25114; SBI_ID: SBI-014563
Temperature	308 °C