N-(4-chlorobenzyl)-2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

SpectraBase Compound ID	KTVrDddT87L
InChI	InChI=1S/C18H18ClF3N6OS/c1-3-28-16(13-8-14(18(20,21)22)27(2)26-13)24-25-17(28)30-10-15(29)23-9-11-4-6-12(19)7-5-11/h4-8H,3,9-10H2,1-2H3,(H,23,29)
InChIKey	QETKPSJMCJZHOI-UHFFFAOYSA-N Google Search
Mol Weight	458.89 g/mol
Molecular Formula	C18H18ClF3N6OS
Exact Mass	458.090343 g/mol

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SpectraBase Spectrum ID	EO4gkNDTdYo
Name	N-(4-chlorobenzyl)-2-({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-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/C18H18ClF3N6OS/c1-3-28-16(13-8-14(18(20,21)22)27(2)26-13)24-25-17(28)30-10-15(29)23-9-11-4-6-12(19)7-5-11/h4-8H,3,9-10H2,1-2H3,(H,23,29)
InChIKey	QETKPSJMCJZHOI-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_6820
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: UZI/1266228; Labnumber: COL3548; UZI_ID: UZI-006822
Temperature	308 °C