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

SpectraBase Compound ID	3wSTCGYFAm1
InChI	InChI=1S/C27H27N5O5S/c1-4-36-21-11-12-22(24(15-21)32(34)35)28-26(33)17-38-27-30-29-25(16-37-20-8-6-5-7-9-20)31(27)23-13-10-18(2)14-19(23)3/h5-15H,4,16-17H2,1-3H3,(H,28,33)
InChIKey	DBVGYHOREQEZAF-UHFFFAOYSA-N Google Search
Mol Weight	533.6 g/mol
Molecular Formula	C27H27N5O5S
Exact Mass	533.17329 g/mol

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SpectraBase Spectrum ID	3FUPuIZKTPD
Name	2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxy-2-nitrophenyl)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/C27H27N5O5S/c1-4-36-21-11-12-22(24(15-21)32(34)35)28-26(33)17-38-27-30-29-25(16-37-20-8-6-5-7-9-20)31(27)23-13-10-18(2)14-19(23)3/h5-15H,4,16-17H2,1-3H3,(H,28,33)
InChIKey	DBVGYHOREQEZAF-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_6437
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: NMR/11252617; Labnumber: 1322; IOH_ID: IOH-006438