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

SpectraBase Compound ID	5CDMZ6PmDBC
InChI	InChI=1S/C24H25F3N4OS/c1-5-13-31-21(16-9-11-17(12-10-16)23(2,3)4)29-30-22(31)33-15-20(32)28-19-8-6-7-18(14-19)24(25,26)27/h5-12,14H,1,13,15H2,2-4H3,(H,28,32)
InChIKey	HTRNQMSCJDMNKF-UHFFFAOYSA-N Google Search
Mol Weight	474.55 g/mol
Molecular Formula	C24H25F3N4OS
Exact Mass	474.170117 g/mol

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SpectraBase Spectrum ID	8maD9TAOEqF
Name	2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]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/C24H25F3N4OS/c1-5-13-31-21(16-9-11-17(12-10-16)23(2,3)4)29-30-22(31)33-15-20(32)28-19-8-6-7-18(14-19)24(25,26)27/h5-12,14H,1,13,15H2,2-4H3,(H,28,32)
InChIKey	HTRNQMSCJDMNKF-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4546
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: D99149; Labnumber: GRES-32262; SBI_ID: SBI-004548
Temperature	315 °C