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

SpectraBase Compound ID	CqC9Vn8Luod
InChI	InChI=1S/C16H18N6O2S/c1-11-15(22(23)24)12(2)21(19-11)9-8-14-17-18-16(25)20(14)10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,18,25)
InChIKey	OMSNSKWKSRBRAT-UHFFFAOYSA-N Google Search
Mol Weight	358.42 g/mol
Molecular Formula	C16H18N6O2S
Exact Mass	358.121195 g/mol

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SpectraBase Spectrum ID	FkueXpk8Aj7
Name	4-benzyl-5-[2-(3,5-dimethyl-4-nitro-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/C16H18N6O2S/c1-11-15(22(23)24)12(2)21(19-11)9-8-14-17-18-16(25)20(14)10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,18,25)
InChIKey	OMSNSKWKSRBRAT-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_10575
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/1026306; Labnumber: KUZ0268; UZI_ID: UZI-010577
Synonyms	4-benzyl-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature	308 °C