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

SpectraBase Compound ID	Jf5U5jpSWtO
InChI	InChI=1S/C21H18F6N4O2S/c1-3-31-18(15-6-4-5-7-16(15)33-2)29-30-19(31)34-11-17(32)28-14-9-12(20(22,23)24)8-13(10-14)21(25,26)27/h4-10H,3,11H2,1-2H3,(H,28,32)
InChIKey	NNLJYIKXXUZOPX-UHFFFAOYSA-N Google Search
Mol Weight	504.45 g/mol
Molecular Formula	C21H18F6N4O2S
Exact Mass	504.105466 g/mol

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SpectraBase Spectrum ID	58meozJp1gt
Name	N-[3,5-bis(trifluoromethyl)phenyl]-2-{[4-ethyl-5-(2-methoxyphenyl)-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/C21H18F6N4O2S/c1-3-31-18(15-6-4-5-7-16(15)33-2)29-30-19(31)34-11-17(32)28-14-9-12(20(22,23)24)8-13(10-14)21(25,26)27/h4-10H,3,11H2,1-2H3,(H,28,32)
InChIKey	NNLJYIKXXUZOPX-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11413
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: E06946; Labnumber: GRES-32288; SBI_ID: SBI-011416
Temperature	318 °C