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

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2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID CGDGTXyTBIg
InChI InChI=1S/C28H29N5O4S/c1-18-6-10-20(11-7-18)27-31-32-28(33(27)22-12-8-19(2)9-13-22)38-17-26(34)30-29-16-21-14-24(36-4)25(37-5)15-23(21)35-3/h6-16H,17H2,1-5H3,(H,30,34)/b29-16+
InChIKey QDEWNIZLSNHSOH-MUFRIFMGSA-N
Mol Weight 531.63 g/mol
Molecular Formula C28H29N5O4S
Exact Mass 531.194026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LAcQ7lXUzi3
Name 2-{[4,5-bis(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/C28H29N5O4S/c1-18-6-10-20(11-7-18)27-31-32-28(33(27)22-12-8-19(2)9-13-22)38-17-26(34)30-29-16-21-14-24(36-4)25(37-5)15-23(21)35-3/h6-16H,17H2,1-5H3,(H,30,34)/b29-16+
InChIKey QDEWNIZLSNHSOH-MUFRIFMGSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_15318
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: C24970; Labnumber: UGRES-07943; SBI_ID: SBI-015321
Synonyms 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Temperature 318 °C