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2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide

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2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID JoaSt76hCV8
InChI InChI=1S/C27H33N5O4S/c1-18-10-12-19(13-11-18)26-30-31-27(32(26)21-8-6-5-7-9-21)37-17-25(33)29-28-16-20-14-23(35-3)24(36-4)15-22(20)34-2/h10-16,21H,5-9,17H2,1-4H3,(H,29,33)/b28-16+
InChIKey MTRQIKQFHYCBNS-LQKURTRISA-N
Mol Weight 523.7 g/mol
Molecular Formula C27H33N5O4S
Exact Mass 523.225326 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BSYWAHheG2m
Name 2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4,5-trimethoxyphenyl)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/C27H33N5O4S/c1-18-10-12-19(13-11-18)26-30-31-27(32(26)21-8-6-5-7-9-21)37-17-25(33)29-28-16-20-14-23(35-3)24(36-4)15-22(20)34-2/h10-16,21H,5-9,17H2,1-4H3,(H,29,33)/b28-16+
InChIKey MTRQIKQFHYCBNS-LQKURTRISA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6768
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: D24410; Labnumber: GRES-02389; SBI_ID: SBI-006771
Synonyms 2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Temperature 318 °C