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5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 NMR

5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID F7wUCB7MDSE
InChI InChI=1S/C14H14ClN5OS/c1-8-11(15)12(18-19(8)2)13-16-17-14(22)20(13)9-6-4-5-7-10(9)21-3/h4-7H,1-3H3,(H,17,22)
InChIKey PTGHNLRKIKFNPP-UHFFFAOYSA-N
Mol Weight 335.81 g/mol
Molecular Formula C14H14ClN5OS
Exact Mass 335.060759 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4GNNlrmDkoL
Name 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-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/C14H14ClN5OS/c1-8-11(15)12(18-19(8)2)13-16-17-14(22)20(13)9-6-4-5-7-10(9)21-3/h4-7H,1-3H3,(H,17,22)
InChIKey PTGHNLRKIKFNPP-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12837
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/1010101; UBI_ID: UBI-012840
Synonyms 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 308 °C