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

SpectraBase Compound ID	LGP5eBagVne
InChI	InChI=1S/C12H12F3N5OS/c1-7-3-2-4-8(5-7)17-9(21)6-22-11-19-18-10(20(11)16)12(13,14)15/h2-5H,6,16H2,1H3,(H,17,21)
InChIKey	NKXJISACNWPKHG-UHFFFAOYSA-N Google Search
Mol Weight	331.32 g/mol
Molecular Formula	C12H12F3N5OS
Exact Mass	331.071466 g/mol

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SpectraBase Spectrum ID	6SBj1QXwjDI
Name	2-{[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)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/C12H12F3N5OS/c1-7-3-2-4-8(5-7)17-9(21)6-22-11-19-18-10(20(11)16)12(13,14)15/h2-5H,6,16H2,1H3,(H,17,21)
InChIKey	NKXJISACNWPKHG-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_9814
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: 128548; Labnumber: EX00112555; VK_ID: VK-009818
Temperature	315 °C