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2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,6-dichlorophenyl)methylidene]acetohydrazide

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2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,6-dichlorophenyl)methylidene]acetohydrazide
SpectraBase Compound ID 1TwbYT9mE65
InChI InChI=1S/C28H27Cl2N5OS/c1-18-8-14-21(15-9-18)35-26(19-10-12-20(13-11-19)28(2,3)4)33-34-27(35)37-17-25(36)32-31-16-22-23(29)6-5-7-24(22)30/h5-16H,17H2,1-4H3,(H,32,36)/b31-16+
InChIKey WJLCJQNVJBENLX-WCMJOSRZSA-N
Mol Weight 552.52 g/mol
Molecular Formula C28H27Cl2N5OS
Exact Mass 551.131337 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jb56Rng8C4Y
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,6-dichlorophenyl)methylidene]acetohydrazide
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/C28H27Cl2N5OS/c1-18-8-14-21(15-9-18)35-26(19-10-12-20(13-11-19)28(2,3)4)33-34-27(35)37-17-25(36)32-31-16-22-23(29)6-5-7-24(22)30/h5-16H,17H2,1-4H3,(H,32,36)/b31-16+
InChIKey WJLCJQNVJBENLX-WCMJOSRZSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6699
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: D23990; Labnumber: GRES-01714; SBI_ID: SBI-006702
Synonyms 2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2,6-dichlorophenyl)methylidene]acetohydrazide
Temperature 318 °C