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N'-[(E)-[1,1'-biphenyl]-4-ylmethylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

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N'-[(E)-[1,1'-biphenyl]-4-ylmethylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
SpectraBase Compound ID 7Yq3KIofnDM
InChI InChI=1S/C26H25N5O2S/c1-3-31-25(22-13-15-23(33-2)16-14-22)29-30-26(31)34-18-24(32)28-27-17-19-9-11-21(12-10-19)20-7-5-4-6-8-20/h4-17H,3,18H2,1-2H3,(H,28,32)/b27-17+
InChIKey MRXXDQOIPDGHSN-WPWMEQJKSA-N
Mol Weight 471.58 g/mol
Molecular Formula C26H25N5O2S
Exact Mass 471.172896 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6fZytwXcCm9
Name N'-[(E)-[1,1'-biphenyl]-4-ylmethylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-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 471.172896237 u
Formula C26H25N5O2S
InChI InChI=1S/C26H25N5O2S/c1-3-31-25(22-13-15-23(33-2)16-14-22)29-30-26(31)34-18-24(32)28-27-17-19-9-11-21(12-10-19)20-7-5-4-6-8-20/h4-17H,3,18H2,1-2H3,(H,28,32)/b27-17+
InChIKey MRXXDQOIPDGHSN-WPWMEQJKSA-N
Molecular Weight 471.579 g/mol
SMILES N(\N=C\C=1C=CC(=CC1)C=1C=CC=CC1)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)OC)CC)=O