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

SpectraBase Compound ID	6DELF6N726d
InChI	InChI=1S/C20H19BrN4OS/c1-3-11-25-19(15-6-4-5-14(2)12-15)23-24-20(25)27-13-18(26)22-17-9-7-16(21)8-10-17/h3-10,12H,1,11,13H2,2H3,(H,22,26)
InChIKey	PXZOGPQBHCZPOT-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	1LKajK3emFO
Name	2-{[4-allyl-5-(3-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/c1-3-11-25-19(15-6-4-5-14(2)12-15)23-24-20(25)27-13-18(26)22-17-9-7-16(21)8-10-17/h3-10,12H,1,11,13H2,2H3,(H,22,26)
InChIKey	PXZOGPQBHCZPOT-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11334
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: E06642; Labnumber: GRES-26613; SBI_ID: SBI-011337
Temperature	308 °C