2-({5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethanone

SpectraBase Compound ID	AdSa9NBV7RG
InChI	InChI=1S/C24H21ClN4OS/c1-17-20(25)13-8-14-21(17)26-15-23-27-28-24(29(23)19-11-6-3-7-12-19)31-16-22(30)18-9-4-2-5-10-18/h2-14,26H,15-16H2,1H3
InChIKey	YJLBMPHUEHWQBX-UHFFFAOYSA-N Google Search
Mol Weight	448.97 g/mol
Molecular Formula	C24H21ClN4OS
Exact Mass	448.11246 g/mol

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SpectraBase Spectrum ID	AvpPIVTjZB2
Name	2-({5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-phenylethanone
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/C24H21ClN4OS/c1-17-20(25)13-8-14-21(17)26-15-23-27-28-24(29(23)19-11-6-3-7-12-19)31-16-22(30)18-9-4-2-5-10-18/h2-14,26H,15-16H2,1H3
InChIKey	YJLBMPHUEHWQBX-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_6695
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/11261917; Labnumber: 1495; IOH_ID: IOH-006696