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

View entire compound with spectra: 1 NMR

2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-chloro-3-nitrophenyl)methylidene]acetohydrazide
SpectraBase Compound ID HfG2nQJX3dN
InChI InChI=1S/C28H27ClN6O4S/c1-28(2,3)20-8-6-19(7-9-20)26-32-33-27(34(26)21-10-12-22(39-4)13-11-21)40-17-25(36)31-30-16-18-5-14-23(29)24(15-18)35(37)38/h5-16H,17H2,1-4H3,(H,31,36)/b30-16+
InChIKey SWOYJVWLBBAGAX-OKCVXOCRSA-N
Mol Weight 579.08 g/mol
Molecular Formula C28H27ClN6O4S
Exact Mass 578.150302 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 12EDxVqRPry
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-chloro-3-nitrophenyl)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/C28H27ClN6O4S/c1-28(2,3)20-8-6-19(7-9-20)26-32-33-27(34(26)21-10-12-22(39-4)13-11-21)40-17-25(36)31-30-16-18-5-14-23(29)24(15-18)35(37)38/h5-16H,17H2,1-4H3,(H,31,36)/b30-16+
InChIKey SWOYJVWLBBAGAX-OKCVXOCRSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6689
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: D23966; Labnumber: GRES-01690; SBI_ID: SBI-006692
Synonyms 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(4-chloro-3-nitrophenyl)methylidene]acetohydrazide
Temperature 318 °C