3-(butylsulfanyl)-5-(difluoromethyl)-N-[(E)-(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-4H-1,2,4-triazol-4-amine

SpectraBase Compound ID	A6Ewpqh3bF4
InChI	InChI=1S/C13H18F2N6S/c1-4-5-6-22-13-19-18-12(11(14)15)21(13)17-8-10-7-16-20(3)9(10)2/h7-8,11H,4-6H2,1-3H3/b17-8+
InChIKey	LIPJSDMQGYMJCT-CAOOACKPSA-N Google Search
Mol Weight	328.39 g/mol
Molecular Formula	C13H18F2N6S
Exact Mass	328.128172 g/mol

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SpectraBase Spectrum ID	Bj8Ao0r21ot
Name	3-(butylsulfanyl)-5-(difluoromethyl)-N-[(E)-(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-4H-1,2,4-triazol-4-amine
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/C13H18F2N6S/c1-4-5-6-22-13-19-18-12(11(14)15)21(13)17-8-10-7-16-20(3)9(10)2/h7-8,11H,4-6H2,1-3H3/b17-8+
InChIKey	LIPJSDMQGYMJCT-CAOOACKPSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_31971
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: 1844415; SBI_ID: SBI-031975
Synonyms	N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-N-[(E)-(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]amine3-(butylsulfanyl)-5-(difluoromethyl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-4H-1,2,4-triazol-4-amine
Temperature	315 °C