2-{[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide

SpectraBase Compound ID	LrNKLHu0i58
InChI	InChI=1S/C29H23ClN4O2S/c1-20-6-5-7-21(18-20)28-32-33-29(34(28)24-14-10-22(30)11-15-24)37-19-27(35)31-23-12-16-26(17-13-23)36-25-8-3-2-4-9-25/h2-18H,19H2,1H3,(H,31,35)
InChIKey	GNQOYUPKQVBVEB-UHFFFAOYSA-N Google Search
Mol Weight	527.04 g/mol
Molecular Formula	C29H23ClN4O2S
Exact Mass	526.123025 g/mol

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SpectraBase Spectrum ID	ITCw6Pb5rhq
Name	2-{[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)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/C29H23ClN4O2S/c1-20-6-5-7-21(18-20)28-32-33-29(34(28)24-14-10-22(30)11-15-24)37-19-27(35)31-23-12-16-26(17-13-23)36-25-8-3-2-4-9-25/h2-18H,19H2,1H3,(H,31,35)
InChIKey	GNQOYUPKQVBVEB-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11325
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: E06632; Labnumber: GRES-26459; SBI_ID: SBI-011328
Temperature	308 °C