4-(3-chloro-4-fluorophenyl)-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol

SpectraBase Compound ID	DERhPKbOrmq
InChI	InChI=1S/C15H14ClFN6O2S/c1-8-14(23(24)25)9(2)21(20-8)6-5-13-18-19-15(26)22(13)10-3-4-12(17)11(16)7-10/h3-4,7H,5-6H2,1-2H3,(H,19,26)
InChIKey	SBCMXNYFDTYMDB-UHFFFAOYSA-N Google Search
Mol Weight	396.83 g/mol
Molecular Formula	C15H14ClFN6O2S
Exact Mass	396.057151 g/mol

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SpectraBase Spectrum ID	1cf9jk0vYbX
Name	4-(3-chloro-4-fluorophenyl)-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)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/C15H14ClFN6O2S/c1-8-14(23(24)25)9(2)21(20-8)6-5-13-18-19-15(26)22(13)10-3-4-12(17)11(16)7-10/h3-4,7H,5-6H2,1-2H3,(H,19,26)
InChIKey	SBCMXNYFDTYMDB-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_10576
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/1026278; Labnumber: KUZ0269; UZI_ID: UZI-010578
Synonyms	4-(3-chloro-4-fluorophenyl)-5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature	308 °C