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

SpectraBase Compound ID	H4FbfUq56AA
InChI	InChI=1S/C19H18BrIN4S/c1-2-10-25-18(12-22-17-8-6-16(21)7-9-17)23-24-19(25)26-13-14-4-3-5-15(20)11-14/h2-9,11,22H,1,10,12-13H2
InChIKey	HSTUOUQQRFOWMC-UHFFFAOYSA-N Google Search
Mol Weight	541.25 g/mol
Molecular Formula	C19H18BrIN4S
Exact Mass	539.948026 g/mol

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SpectraBase Spectrum ID	IZfXDFodteZ
Name	N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-4-iodoaniline
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/C19H18BrIN4S/c1-2-10-25-18(12-22-17-8-6-16(21)7-9-17)23-24-19(25)26-13-14-4-3-5-15(20)11-14/h2-9,11,22H,1,10,12-13H2
InChIKey	HSTUOUQQRFOWMC-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_6156
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/8180684; UBI_ID: UBI-006158
Synonyms	N-({4-allyl-5-[(3-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-N-(4-iodophenyl)amine
Temperature	308 °C