ethyl [({[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]acetate

SpectraBase Compound ID	GywCqMdMS8A
InChI	InChI=1S/C22H24N4O4S/c1-4-30-20(28)13-23-19(27)14-31-22-25-24-21(16-7-5-15(2)6-8-16)26(22)17-9-11-18(29-3)12-10-17/h5-12H,4,13-14H2,1-3H3,(H,23,27)
InChIKey	KPFYTBXMQBMRRA-UHFFFAOYSA-N Google Search
Mol Weight	440.52 g/mol
Molecular Formula	C22H24N4O4S
Exact Mass	440.151826 g/mol

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SpectraBase Spectrum ID	IG9QWiQNTqc
Name	ethyl [({[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]acetate
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/C22H24N4O4S/c1-4-30-20(28)13-23-19(27)14-31-22-25-24-21(16-7-5-15(2)6-8-16)26(22)17-9-11-18(29-3)12-10-17/h5-12H,4,13-14H2,1-3H3,(H,23,27)
InChIKey	KPFYTBXMQBMRRA-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14339
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: D98220; Labnumber: GRES-17556; SBI_ID: SBI-014342
Temperature	308 °C