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

SpectraBase Compound ID	IpXvpVnOiv6
InChI	InChI=1S/C21H19F3N4O2S/c1-3-10-28-19(14-6-4-9-17(11-14)30-2)26-27-20(28)31-13-18(29)25-16-8-5-7-15(12-16)21(22,23)24/h3-9,11-12H,1,10,13H2,2H3,(H,25,29)
InChIKey	UJQCGYXLCKQDFB-UHFFFAOYSA-N Google Search
Mol Weight	448.46 g/mol
Molecular Formula	C21H19F3N4O2S
Exact Mass	448.118082 g/mol

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SpectraBase Spectrum ID	Ivnnrw6YYFD
Name	2-{[4-allyl-5-(3-methoxyphenyl)-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/C21H19F3N4O2S/c1-3-10-28-19(14-6-4-9-17(11-14)30-2)26-27-20(28)31-13-18(29)25-16-8-5-7-15(12-16)21(22,23)24/h3-9,11-12H,1,10,13H2,2H3,(H,25,29)
InChIKey	UJQCGYXLCKQDFB-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11367
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: E06683; Labnumber: GRES-27491; SBI_ID: SBI-011370
Temperature	318 °C