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

SpectraBase Compound ID	6RP8B5aQKCx
InChI	InChI=1S/C20H15Cl2F3N4OS/c1-2-9-29-18(13-5-3-4-6-14(13)21)27-28-19(29)31-11-17(30)26-16-10-12(20(23,24)25)7-8-15(16)22/h2-8,10H,1,9,11H2,(H,26,30)
InChIKey	JUKCMPDIPAIPMT-UHFFFAOYSA-N Google Search
Mol Weight	487.33 g/mol
Molecular Formula	C20H15Cl2F3N4OS
Exact Mass	486.029572 g/mol

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SpectraBase Spectrum ID	9HgjqISE87H
Name	2-{[4-allyl-5-(2-chlorophenyl)-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/C20H15Cl2F3N4OS/c1-2-9-29-18(13-5-3-4-6-14(13)21)27-28-19(29)31-11-17(30)26-16-10-12(20(23,24)25)7-8-15(16)22/h2-8,10H,1,9,11H2,(H,26,30)
InChIKey	JUKCMPDIPAIPMT-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14522
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: D98640; Labnumber: GRES-24205; SBI_ID: SBI-014525
Temperature	308 °C