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2-(1,3-benzothiazol-2-ylsulfanyl)-N'-((E)-{4-[(3-chlorobenzyl)oxy]phenyl}methylidene)acetohydrazide
SpectraBase Compound ID I4vxj1PytMq
InChI InChI=1S/C23H18ClN3O2S2/c24-18-5-3-4-17(12-18)14-29-19-10-8-16(9-11-19)13-25-27-22(28)15-30-23-26-20-6-1-2-7-21(20)31-23/h1-13H,14-15H2,(H,27,28)/b25-13+
InChIKey YRNKJTINOXSUMP-DHRITJCHSA-N
Mol Weight 467.99 g/mol
Molecular Formula C23H18ClN3O2S2
Exact Mass 467.052897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A3ttvBx2qfK
Name 2-(1,3-Benzothiazol-2-ylsulfanyl)-N'-((E)-{4-[(3-chlorobenzyl)oxy]phenyl}methylidene)acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.052896878 u
Formula C23H18ClN3O2S2
InChI InChI=1S/C23H18ClN3O2S2/c24-18-5-3-4-17(12-18)14-29-19-10-8-16(9-11-19)13-25-27-22(28)15-30-23-26-20-6-1-2-7-21(20)31-23/h1-13H,14-15H2,(H,27,28)/b25-13+
InChIKey YRNKJTINOXSUMP-DHRITJCHSA-N
Molecular Weight 467.989 g/mol
SMILES N(\N=C\C=1C=CC(OCC=2C=C(Cl)C=CC2)=CC1)C(CSC1=NC=2C=CC=CC2S1)=O