N-(3,5-dimethylphenyl)-2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

SpectraBase Compound ID	6Lq2J48Nkwc
InChI	InChI=1S/C21H24N4O2S/c1-4-25-19(13-27-18-8-6-5-7-9-18)23-24-21(25)28-14-20(26)22-17-11-15(2)10-16(3)12-17/h5-12H,4,13-14H2,1-3H3,(H,22,26)
InChIKey	LTQUOENIDXRBOJ-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	IG83fUQQr5Z
Name	N-(3,5-dimethylphenyl)-2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
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/c1-4-25-19(13-27-18-8-6-5-7-9-18)23-24-21(25)28-14-20(26)22-17-11-15(2)10-16(3)12-17/h5-12H,4,13-14H2,1-3H3,(H,22,26)
InChIKey	LTQUOENIDXRBOJ-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11452
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: E06349; Labnumber: GRES-21103; SBI_ID: SBI-011455
Temperature	308 °C