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

SpectraBase Compound ID	Dr3NS7I4ID0
InChI	InChI=1S/C28H28Cl2N4O2S/c1-18-7-5-6-8-24(18)34-25(16-36-21-12-9-19(10-13-21)28(2,3)4)32-33-27(34)37-17-26(35)31-20-11-14-22(29)23(30)15-20/h5-15H,16-17H2,1-4H3,(H,31,35)
InChIKey	RGEDPHNWBSQUKZ-UHFFFAOYSA-N Google Search
Mol Weight	555.52 g/mol
Molecular Formula	C28H28Cl2N4O2S
Exact Mass	554.131003 g/mol

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SpectraBase Spectrum ID	3rq5uXL5rq6
Name	2-{[5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorophenyl)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/C28H28Cl2N4O2S/c1-18-7-5-6-8-24(18)34-25(16-36-21-12-9-19(10-13-21)28(2,3)4)32-33-27(34)37-17-26(35)31-20-11-14-22(29)23(30)15-20/h5-15H,16-17H2,1-4H3,(H,31,35)
InChIKey	RGEDPHNWBSQUKZ-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_6427
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/11252607; Labnumber: 1312; IOH_ID: IOH-006428