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

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2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-methyl-2-thienyl)methylidene]acetohydrazide
SpectraBase Compound ID FuY0IYLXHFT
InChI InChI=1S/C23H27N5OS2/c1-16-8-10-18(11-9-16)22-26-27-23(28(22)19-6-4-3-5-7-19)31-15-21(29)25-24-14-20-17(2)12-13-30-20/h8-14,19H,3-7,15H2,1-2H3,(H,25,29)/b24-14+
InChIKey GDHZUHNRLDSYLO-ZVHZXABRSA-N
Mol Weight 453.62 g/mol
Molecular Formula C23H27N5OS2
Exact Mass 453.165703 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BFHsXLRztpj
Name 2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-methyl-2-thienyl)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/C23H27N5OS2/c1-16-8-10-18(11-9-16)22-26-27-23(28(22)19-6-4-3-5-7-19)31-15-21(29)25-24-14-20-17(2)12-13-30-20/h8-14,19H,3-7,15H2,1-2H3,(H,25,29)/b24-14+
InChIKey GDHZUHNRLDSYLO-ZVHZXABRSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16737
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: D24388; Labnumber: GRES-02366; SBI_ID: SBI-016740
Synonyms 2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3-methyl-2-thienyl)methylidene]acetohydrazide
Temperature 318 °C