N-[4-(acetylamino)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

SpectraBase Compound ID	1j559mZAK1Y
InChI	InChI=1S/C27H27N5O4S/c1-4-36-24-15-11-22(12-16-24)32-26(19-5-13-23(35-3)14-6-19)30-31-27(32)37-17-25(34)29-21-9-7-20(8-10-21)28-18(2)33/h5-16H,4,17H2,1-3H3,(H,28,33)(H,29,34)
InChIKey	XBEOPHBPCMIOBO-UHFFFAOYSA-N Google Search
Mol Weight	517.6 g/mol
Molecular Formula	C27H27N5O4S
Exact Mass	517.178376 g/mol

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SpectraBase Spectrum ID	5cPDlNZPY4k
Name	N-[4-(acetylamino)phenyl]-2-{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-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/C27H27N5O4S/c1-4-36-24-15-11-22(12-16-24)32-26(19-5-13-23(35-3)14-6-19)30-31-27(32)37-17-25(34)29-21-9-7-20(8-10-21)28-18(2)33/h5-16H,4,17H2,1-3H3,(H,28,33)(H,29,34)
InChIKey	XBEOPHBPCMIOBO-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11711
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: E08636; Labnumber: GRES-37294; SBI_ID: SBI-011714
Temperature	308 °C