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

SpectraBase Compound ID	9AsFqZpatJX
InChI	InChI=1S/C21H23N5O5S/c1-4-25-19(12-31-17-9-10-18(26(28)29)14(2)11-17)23-24-21(25)32-13-20(27)22-15-5-7-16(30-3)8-6-15/h5-11H,4,12-13H2,1-3H3,(H,22,27)
InChIKey	RFEWYVSAAWIWDT-UHFFFAOYSA-N Google Search
Mol Weight	457.51 g/mol
Molecular Formula	C21H23N5O5S
Exact Mass	457.14199 g/mol

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SpectraBase Spectrum ID	4guhy8GlF8e
Name	2-({4-ethyl-5-[(3-methyl-4-nitrophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methoxyphenyl)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/C21H23N5O5S/c1-4-25-19(12-31-17-9-10-18(26(28)29)14(2)11-17)23-24-21(25)32-13-20(27)22-15-5-7-16(30-3)8-6-15/h5-11H,4,12-13H2,1-3H3,(H,22,27)
InChIKey	RFEWYVSAAWIWDT-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_7715
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/1268905; Labnumber: COL5916; UZI_ID: UZI-007717
Temperature	318 °C