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

SpectraBase Compound ID	DqQJ0D7HpUj
InChI	InChI=1S/C24H22ClN5OS/c1-17-10-12-19(13-11-17)27-23(31)16-32-24-29-28-22(30(24)21-8-3-2-4-9-21)15-26-20-7-5-6-18(25)14-20/h2-14,26H,15-16H2,1H3,(H,27,31)
InChIKey	JROBJUCYZGWPKS-UHFFFAOYSA-N Google Search
Mol Weight	463.99 g/mol
Molecular Formula	C24H22ClN5OS
Exact Mass	463.123359 g/mol

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SpectraBase Spectrum ID	KePmS03Cml6
Name	2-({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)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/C24H22ClN5OS/c1-17-10-12-19(13-11-17)27-23(31)16-32-24-29-28-22(30(24)21-8-3-2-4-9-21)15-26-20-7-5-6-18(25)14-20/h2-14,26H,15-16H2,1H3,(H,27,31)
InChIKey	JROBJUCYZGWPKS-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_6486
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/11252681; Labnumber: 1406; IOH_ID: IOH-006487