2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

SpectraBase Compound ID	BCcnixMvSX5
InChI	InChI=1S/C22H23ClN4O3S/c1-4-10-27-20(13-30-16-8-6-5-7-9-16)25-26-22(27)31-14-21(28)24-18-11-15(2)17(23)12-19(18)29-3/h4-9,11-12H,1,10,13-14H2,2-3H3,(H,24,28)
InChIKey	ZASDBEYWDDRAOU-UHFFFAOYSA-N Google Search
Mol Weight	458.96 g/mol
Molecular Formula	C22H23ClN4O3S
Exact Mass	458.117939 g/mol

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SpectraBase Spectrum ID	8NK1zTqFxTH
Name	2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)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/C22H23ClN4O3S/c1-4-10-27-20(13-30-16-8-6-5-7-9-16)25-26-22(27)31-14-21(28)24-18-11-15(2)17(23)12-19(18)29-3/h4-9,11-12H,1,10,13-14H2,2-3H3,(H,24,28)
InChIKey	ZASDBEYWDDRAOU-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11122
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: E06117; Labnumber: GRES-16360; SBI_ID: SBI-011125
Temperature	306 °C