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

View entire compound with spectra: 2 NMR

4-methoxy-N-(5-{2-[(2E)-2-(3-{2-[(4-methylphenyl)sulfanyl]ethoxy}benzylidene)hydrazino]-2-oxoethyl}-1,3,4-thiadiazol-2-yl)benzamide
SpectraBase Compound ID CU31L6pQ47B
InChI InChI=1S/C28H27N5O4S2/c1-19-6-12-24(13-7-19)38-15-14-37-23-5-3-4-20(16-23)18-29-31-25(34)17-26-32-33-28(39-26)30-27(35)21-8-10-22(36-2)11-9-21/h3-13,16,18H,14-15,17H2,1-2H3,(H,31,34)(H,30,33,35)/b29-18+
InChIKey VAVOEARJPAANLH-RDRPBHBLSA-N
Mol Weight 561.68 g/mol
Molecular Formula C28H27N5O4S2
Exact Mass 561.150447 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3JpkReNRSKJ
Name 4-Methoxy-N-(5-{2-[(2E)-2-(3-{2-[(4-methylphenyl)sulfanyl]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 561.150446713 u
Formula C28H27N5O4S2
InChI InChI=1S/C28H27N5O4S2/c1-19-6-12-24(13-7-19)38-15-14-37-23-5-3-4-20(16-23)18-29-31-25(34)17-26-32-33-28(39-26)30-27(35)21-8-10-22(36-2)11-9-21/h3-13,16,18H,14-15,17H2,1-2H3,(H,31,34)(H,30,33,35)/b29-18+
InChIKey VAVOEARJPAANLH-RDRPBHBLSA-N
Molecular Weight 561.675 g/mol
SMILES N(\N=C\C1=CC(OCCSC2=CC=C(C=C2)C)=CC=C1)C(CC=1SC(=NN1)NC(C1=CC=C(C=C1)OC)=O)=O