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2-(5-amino-1,3,4-thiadiazol-2-yl)-N'-((E)-{2-[(2-chlorobenzyl)oxy]phenyl}methylidene)acetohydrazide
SpectraBase Compound ID 9R6BL7PYcRZ
InChI InChI=1S/C18H16ClN5O2S/c19-14-7-3-1-6-13(14)11-26-15-8-4-2-5-12(15)10-21-22-16(25)9-17-23-24-18(20)27-17/h1-8,10H,9,11H2,(H2,20,24)(H,22,25)/b21-10+
InChIKey RIRUVHNIZZWYKV-UFFVCSGVSA-N
Mol Weight 401.87 g/mol
Molecular Formula C18H16ClN5O2S
Exact Mass 401.071324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bc3dF0Si2Fd
Name 2-(5-Amino-1,3,4-thiadiazol-2-yl)-N'-((E)-{2-[(2-chlorobenzyl)oxy]phenyl}methylidene)acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.071323647 u
Formula C18H16ClN5O2S
InChI InChI=1S/C18H16ClN5O2S/c19-14-7-3-1-6-13(14)11-26-15-8-4-2-5-12(15)10-21-22-16(25)9-17-23-24-18(20)27-17/h1-8,10H,9,11H2,(H2,20,24)(H,22,25)/b21-10+
InChIKey RIRUVHNIZZWYKV-UFFVCSGVSA-N
Molecular Weight 401.872 g/mol
SMILES N(\N=C\C=1C(OCC=2C(Cl)=CC=CC2)=CC=CC1)C(CC=1SC(=NN1)N)=O