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4-(2-chlorophenyl)-5-{[2-(2-pyridinyl)-1H-benzimidazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID CKNmYKeT3yD
InChI InChI=1S/C21H15ClN6S/c22-14-7-1-3-10-17(14)28-19(25-26-21(28)29)13-27-18-11-4-2-8-15(18)24-20(27)16-9-5-6-12-23-16/h1-12H,13H2,(H,26,29)
InChIKey CNLAEAVRBGWHLI-UHFFFAOYSA-N
Mol Weight 418.91 g/mol
Molecular Formula C21H15ClN6S
Exact Mass 418.076743 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K8MWe5I3Hxk
Name 4-(2-chlorophenyl)-5-{[2-(2-pyridinyl)-1H-benzimidazol-1-yl]methyl}-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/C21H15ClN6S/c22-14-7-1-3-10-17(14)28-19(25-26-21(28)29)13-27-18-11-4-2-8-15(18)24-20(27)16-9-5-6-12-23-16/h1-12H,13H2,(H,26,29)
InChIKey CNLAEAVRBGWHLI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35817
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: E94358; SBI_ID: SBI-035821
Synonyms 4-(2-chlorophenyl)-5-{[2-(2-pyridinyl)-1H-benzimidazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 308 °C