4-({(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}amino)-5-ethyl-4H-1,2,4-triazole-3-thiol

SpectraBase Compound ID	BsojaYnHkz4
InChI	InChI=1S/C13H14F2N4O2S/c1-3-11-17-18-13(22)19(11)16-7-8-4-5-9(21-12(14)15)10(6-8)20-2/h4-7,12H,3H2,1-2H3,(H,18,22)/b16-7+
InChIKey	PJYAVWNEPOEFGG-FRKPEAEDSA-N Google Search
Mol Weight	328.34 g/mol
Molecular Formula	C13H14F2N4O2S
Exact Mass	328.080553 g/mol

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SpectraBase Spectrum ID	6GTkf9mRveq
Name	4-({(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}amino)-5-ethyl-4H-1,2,4-triazole-3-thiol
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/C13H14F2N4O2S/c1-3-11-17-18-13(22)19(11)16-7-8-4-5-9(21-12(14)15)10(6-8)20-2/h4-7,12H,3H2,1-2H3,(H,18,22)/b16-7+
InChIKey	PJYAVWNEPOEFGG-FRKPEAEDSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_31259
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: 1751526; SBI_ID: SBI-031263
Synonyms	4-({(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}amino)-5-ethyl-4H-1,2,4-triazol-3-yl hydrosulfide4-({[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}amino)-5-ethyl-4H-1,2,4-triazole-3-thiol
Temperature	318 °C