4-benzyl-5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol

SpectraBase Compound ID	52qyyEDzILh
InChI	InChI=1S/C16H18BrN5S/c1-11-15(17)12(2)22(20-11)9-8-14-18-19-16(23)21(14)10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,19,23)
InChIKey	JZSNIUWVQMVWFS-UHFFFAOYSA-N Google Search
Mol Weight	392.32 g/mol
Molecular Formula	C16H18BrN5S
Exact Mass	391.04663 g/mol

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SpectraBase Spectrum ID	DsBADNPGGoI
Name	4-benzyl-5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
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/C16H18BrN5S/c1-11-15(17)12(2)22(20-11)9-8-14-18-19-16(23)21(14)10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,19,23)
InChIKey	JZSNIUWVQMVWFS-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11309
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/1024732; Labnumber: NIV0956; UZI_ID: UZI-011311
Synonyms	4-benzyl-5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature	308 °C