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

SpectraBase Compound ID	GiJUXtX6HcG
InChI	InChI=1S/C27H25F3N4OS/c1-26(2,3)19-14-12-18(13-15-19)24-32-33-25(34(24)22-10-5-4-6-11-22)36-17-23(35)31-21-9-7-8-20(16-21)27(28,29)30/h4-16H,17H2,1-3H3,(H,31,35)
InChIKey	FOVVCSMKIZVFNI-UHFFFAOYSA-N Google Search
Mol Weight	510.58 g/mol
Molecular Formula	C27H25F3N4OS
Exact Mass	510.170117 g/mol

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SpectraBase Spectrum ID	20uqw4dNMGh
Name	2-{[5-(4-tert-butylphenyl)-4-phenyl-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/C27H25F3N4OS/c1-26(2,3)19-14-12-18(13-15-19)24-32-33-25(34(24)22-10-5-4-6-11-22)36-17-23(35)31-21-9-7-8-20(16-21)27(28,29)30/h4-16H,17H2,1-3H3,(H,31,35)
InChIKey	FOVVCSMKIZVFNI-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4889
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: E08316; Labnumber: GRES-36913; SBI_ID: SBI-004891
Temperature	318 °C