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

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2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4-dichlorophenyl)methylidene]acetohydrazide
SpectraBase Compound ID A4IfaHw1xgK
InChI InChI=1S/C28H27Cl2N5O2S/c1-28(2,3)20-8-6-19(7-9-20)26-33-34-27(35(26)21-10-12-22(37-4)13-11-21)38-17-25(36)32-31-16-18-5-14-23(29)24(30)15-18/h5-16H,17H2,1-4H3,(H,32,36)/b31-16+
InChIKey ARKRGBXKCAHPGF-WCMJOSRZSA-N
Mol Weight 568.52 g/mol
Molecular Formula C28H27Cl2N5O2S
Exact Mass 567.126252 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9TcBgpBNTwv
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4-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/C28H27Cl2N5O2S/c1-28(2,3)20-8-6-19(7-9-20)26-33-34-27(35(26)21-10-12-22(37-4)13-11-21)38-17-25(36)32-31-16-18-5-14-23(29)24(30)15-18/h5-16H,17H2,1-4H3,(H,32,36)/b31-16+
InChIKey ARKRGBXKCAHPGF-WCMJOSRZSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6680
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: D23934; Labnumber: GRES-01658; SBI_ID: SBI-006683
Synonyms 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,4-dichlorophenyl)methylidene]acetohydrazide
Temperature 318 °C