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acetic acid, [[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazide

View entire compound with spectra: 2 NMR

acetic acid, [[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazide
SpectraBase Compound ID IB52OqtLIPn
InChI InChI=1S/C26H25N5O4S/c1-3-35-22-11-7-8-19(24(22)33)16-27-28-23(32)17-36-26-30-29-25(18-12-14-21(34-2)15-13-18)31(26)20-9-5-4-6-10-20/h4-16,33H,3,17H2,1-2H3,(H,28,32)/b27-16-
InChIKey ZQYDZBLJQSUKCS-YUMHPJSZSA-N
Mol Weight 503.58 g/mol
Molecular Formula C26H25N5O4S
Exact Mass 503.162725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D2QCkaKu7N1
Name Acetic acid, [[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 503.162725475 u
Formula C26H25N5O4S
InChI InChI=1S/C26H25N5O4S/c1-3-35-22-11-7-8-19(24(22)33)16-27-28-23(32)17-36-26-30-29-25(18-12-14-21(34-2)15-13-18)31(26)20-9-5-4-6-10-20/h4-16,33H,3,17H2,1-2H3,(H,28,32)/b27-16-
InChIKey ZQYDZBLJQSUKCS-YUMHPJSZSA-N
Molecular Weight 503.577 g/mol
SMILES N(\N=C/C=1C(=C(C=CC1)OCC)O)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)C1=CC=CC=C1)=O