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

SpectraBase Compound ID	AqBvuD80IpN
InChI	InChI=1S/C24H21Cl2N5OS/c1-16-7-5-6-10-21(16)28-23(32)15-33-24-30-29-22(31(24)18-8-3-2-4-9-18)14-27-17-11-12-19(25)20(26)13-17/h2-13,27H,14-15H2,1H3,(H,28,32)
InChIKey	HRKABOVRORJUDY-UHFFFAOYSA-N Google Search
Mol Weight	498.43 g/mol
Molecular Formula	C24H21Cl2N5OS
Exact Mass	497.084387 g/mol

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SpectraBase Spectrum ID	46QO1tmcHzJ
Name	2-({5-[(3,4-dichloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-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/C24H21Cl2N5OS/c1-16-7-5-6-10-21(16)28-23(32)15-33-24-30-29-22(31(24)18-8-3-2-4-9-18)14-27-17-11-12-19(25)20(26)13-17/h2-13,27H,14-15H2,1H3,(H,28,32)
InChIKey	HRKABOVRORJUDY-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_6481
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/11252676; Labnumber: 1401; IOH_ID: IOH-006482