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5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol

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5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID Js19Umt4nIu
InChI InChI=1S/C13H12ClN5S/c1-8-3-5-9(6-4-8)19-12(15-16-13(19)20)11-10(14)7-18(2)17-11/h3-7H,1-2H3,(H,16,20)
InChIKey GZRHKRSDLSOQRG-UHFFFAOYSA-N
Mol Weight 305.79 g/mol
Molecular Formula C13H12ClN5S
Exact Mass 305.050194 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 33Touq0nT1E
Name 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-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/C13H12ClN5S/c1-8-3-5-9(6-4-8)19-12(15-16-13(19)20)11-10(14)7-18(2)17-11/h3-7H,1-2H3,(H,16,20)
InChIKey GZRHKRSDLSOQRG-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14343
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/1014298; UBI_ID: UBI-014346
Synonyms 5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 308 °C