3-(4-tert-butylphenyl)-4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole

SpectraBase Compound ID	FO9AR42Xu3p
InChI	InChI=1S/C21H24N4O2S/c1-5-24-19(16-8-10-17(11-9-16)21(2,3)4)22-23-20(24)28-14-15-6-12-18(13-7-15)25(26)27/h6-13H,5,14H2,1-4H3
InChIKey	RLHLQGSSSCZNFO-UHFFFAOYSA-N Google Search
Mol Weight	396.51 g/mol
Molecular Formula	C21H24N4O2S
Exact Mass	396.161997 g/mol

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SpectraBase Spectrum ID	I4rDzY6EVQI
Name	3-(4-tert-butylphenyl)-4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
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/C21H24N4O2S/c1-5-24-19(16-8-10-17(11-9-16)21(2,3)4)22-23-20(24)28-14-15-6-12-18(13-7-15)25(26)27/h6-13H,5,14H2,1-4H3
InChIKey	RLHLQGSSSCZNFO-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_3833
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: D98103; Labnumber: GRES-15891; SBI_ID: SBI-003835
Synonyms	5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl 4-nitrobenzyl sulfide
Temperature	318 °C