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

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N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
SpectraBase Compound ID FbDyjJSF2Y9
InChI InChI=1S/C30H33N5O4S/c1-30(2,3)22-14-12-20(13-15-22)18-31-32-26(36)19-40-29-34-33-28(35(29)23-10-8-7-9-11-23)21-16-24(37-4)27(39-6)25(17-21)38-5/h7-18H,19H2,1-6H3,(H,32,36)/b31-18+
InChIKey QLMFQMQCDURBOR-FDAWAROLSA-N
Mol Weight 559.7 g/mol
Molecular Formula C30H33N5O4S
Exact Mass 559.225326 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8kSadPOmpM6
Name N'-[(E)-(4-tert-butylphenyl)methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 559.225325733 u
Formula C30H33N5O4S
InChI InChI=1S/C30H33N5O4S/c1-30(2,3)22-14-12-20(13-15-22)18-31-32-26(36)19-40-29-34-33-28(35(29)23-10-8-7-9-11-23)21-16-24(37-4)27(39-6)25(17-21)38-5/h7-18H,19H2,1-6H3,(H,32,36)/b31-18+
InChIKey QLMFQMQCDURBOR-FDAWAROLSA-N
Molecular Weight 559.685 g/mol
SMILES N(\N=C\C1=CC=C(C(C)(C)C)C=C1)C(CSC=1N(C(=NN1)C=1C=C(OC)C(=C(C1)OC)OC)C1=CC=CC=C1)=O