N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-4-methylaniline

SpectraBase Compound ID	81o6VNgpp9G
InChI	InChI=1S/C20H21BrN4S/c1-3-11-25-19(13-22-18-9-7-15(2)8-10-18)23-24-20(25)26-14-16-5-4-6-17(21)12-16/h3-10,12,22H,1,11,13-14H2,2H3
InChIKey	VZXDETNBDZLQKG-UHFFFAOYSA-N Google Search
Mol Weight	429.38 g/mol
Molecular Formula	C20H21BrN4S
Exact Mass	428.067031 g/mol

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SpectraBase Spectrum ID	HEqkBGlXIWC
Name	N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-4-methylaniline
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/C20H21BrN4S/c1-3-11-25-19(13-22-18-9-7-15(2)8-10-18)23-24-20(25)26-14-16-5-4-6-17(21)12-16/h3-10,12,22H,1,11,13-14H2,2H3
InChIKey	VZXDETNBDZLQKG-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_17574
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: UZI/9060965; UBI_ID: UBI-017577
Synonyms	N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-methylphenyl)amine
Temperature	318 °C