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

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2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(4-nitrophenyl)ethylidene]acetohydrazide
SpectraBase Compound ID H4CvTQR84Ar
InChI InChI=1S/C29H30N6O4S/c1-19(20-8-12-24(13-9-20)35(37)38)30-31-26(36)18-40-28-33-32-27(21-6-10-22(11-7-21)29(2,3)4)34(28)23-14-16-25(39-5)17-15-23/h6-17H,18H2,1-5H3,(H,31,36)/b30-19+
InChIKey CDWGNODUQCBVBO-NDZAJKAJSA-N
Mol Weight 558.66 g/mol
Molecular Formula C29H30N6O4S
Exact Mass 558.204925 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AdeP3oB9598
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(4-nitrophenyl)ethylidene]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/C29H30N6O4S/c1-19(20-8-12-24(13-9-20)35(37)38)30-31-26(36)18-40-28-33-32-27(21-6-10-22(11-7-21)29(2,3)4)34(28)23-14-16-25(39-5)17-15-23/h6-17H,18H2,1-5H3,(H,31,36)/b30-19+
InChIKey CDWGNODUQCBVBO-NDZAJKAJSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6687
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: D23955; Labnumber: GRES-01679; SBI_ID: SBI-006690
Synonyms 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[1-(4-nitrophenyl)ethylidene]acetohydrazide
Temperature 318 °C