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

SpectraBase Compound ID	Aak9qXMxgoK
InChI	InChI=1S/C21H18ClF3N4O2S/c1-2-10-29-18(12-31-15-6-4-3-5-7-15)27-28-20(29)32-13-19(30)26-17-11-14(21(23,24)25)8-9-16(17)22/h2-9,11H,1,10,12-13H2,(H,26,30)
InChIKey	MKALHEOKIOVBIA-UHFFFAOYSA-N Google Search
Mol Weight	482.91 g/mol
Molecular Formula	C21H18ClF3N4O2S
Exact Mass	482.079109 g/mol

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SpectraBase Spectrum ID	Asaddhj762k
Name	2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(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/C21H18ClF3N4O2S/c1-2-10-29-18(12-31-15-6-4-3-5-7-15)27-28-20(29)32-13-19(30)26-17-11-14(21(23,24)25)8-9-16(17)22/h2-9,11H,1,10,12-13H2,(H,26,30)
InChIKey	MKALHEOKIOVBIA-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_11561
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: E06497; Labnumber: GRES-23485; SBI_ID: SBI-011564
Temperature	318 °C