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

SpectraBase Compound ID	41aSZXqzYsD
InChI	InChI=1S/C27H27ClN4OS/c1-18-8-7-9-19(16-18)25-30-31-26(32(25)21-14-12-20(28)13-15-21)34-17-24(33)29-23-11-6-5-10-22(23)27(2,3)4/h5-16H,17H2,1-4H3,(H,29,33)
InChIKey	CRBCYNNUPMEJCE-UHFFFAOYSA-N Google Search
Mol Weight	491.05 g/mol
Molecular Formula	C27H27ClN4OS
Exact Mass	490.15941 g/mol

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SpectraBase Spectrum ID	8872tnKfYRR
Name	N-(2-tert-butylphenyl)-2-{[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C27H27ClN4OS/c1-18-8-7-9-19(16-18)25-30-31-26(32(25)21-14-12-20(28)13-15-21)34-17-24(33)29-23-11-6-5-10-22(23)27(2,3)4/h5-16H,17H2,1-4H3,(H,29,33)
InChIKey	CRBCYNNUPMEJCE-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11260
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: E06547; Labnumber: GRES-24503; SBI_ID: SBI-011263
Temperature	315 °C