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

SpectraBase Compound ID	8Sf5sVldxmZ
InChI	InChI=1S/C20H18ClF3N4OS/c1-3-28-18(13-6-4-12(2)5-7-13)26-27-19(28)30-11-17(29)25-16-10-14(20(22,23)24)8-9-15(16)21/h4-10H,3,11H2,1-2H3,(H,25,29)
InChIKey	SSJTUCOKBXFYQL-UHFFFAOYSA-N Google Search
Mol Weight	454.9 g/mol
Molecular Formula	C20H18ClF3N4OS
Exact Mass	454.084195 g/mol

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SpectraBase Spectrum ID	ERLnBYHcl1Y
Name	N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-ethyl-5-(4-methylphenyl)-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/C20H18ClF3N4OS/c1-3-28-18(13-6-4-12(2)5-7-13)26-27-19(28)30-11-17(29)25-16-10-14(20(22,23)24)8-9-15(16)21/h4-10H,3,11H2,1-2H3,(H,25,29)
InChIKey	SSJTUCOKBXFYQL-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4380
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: D98915; Labnumber: GRES-28318; SBI_ID: SBI-004382
Temperature	306 °C