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2-methyl-N-{5-[2-((2E)-2-{3-[2-(4-methylphenoxy)ethoxy]benzylidene}hydrazino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}benzamide

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2-methyl-N-{5-[2-((2E)-2-{3-[2-(4-methylphenoxy)ethoxy]benzylidene}hydrazino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}benzamide
SpectraBase Compound ID 4wTFAZOIOGU
InChI InChI=1S/C28H27N5O4S/c1-19-10-12-22(13-11-19)36-14-15-37-23-8-5-7-21(16-23)18-29-31-25(34)17-26-32-33-28(38-26)30-27(35)24-9-4-3-6-20(24)2/h3-13,16,18H,14-15,17H2,1-2H3,(H,31,34)(H,30,33,35)/b29-18+
InChIKey HVGIZKQWROGJJX-RDRPBHBLSA-N
Mol Weight 529.62 g/mol
Molecular Formula C28H27N5O4S
Exact Mass 529.178376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 80z0d4dDhCF
Name 2-Methyl-N-{5-[2-((2E)-2-{3-[2-(4-methylphenoxy)ethoxy]benzylidene}hydrazino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 529.178375539 u
Formula C28H27N5O4S
InChI InChI=1S/C28H27N5O4S/c1-19-10-12-22(13-11-19)36-14-15-37-23-8-5-7-21(16-23)18-29-31-25(34)17-26-32-33-28(38-26)30-27(35)24-9-4-3-6-20(24)2/h3-13,16,18H,14-15,17H2,1-2H3,(H,31,34)(H,30,33,35)/b29-18+
InChIKey HVGIZKQWROGJJX-RDRPBHBLSA-N
Molecular Weight 529.615 g/mol
SMILES N(\N=C\C1=CC(OCCOC2=CC=C(C=C2)C)=CC=C1)C(CC=1SC(=NN1)NC(C1=C(C)C=CC=C1)=O)=O