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4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N'-(3-hydroxybenzoyl)butanohydrazide
SpectraBase Compound ID 37oRE6vh8I9
InChI InChI=1S/C21H18ClN3O4S2/c22-16-8-2-1-5-13(16)12-17-20(29)25(21(30)31-17)10-4-9-18(27)23-24-19(28)14-6-3-7-15(26)11-14/h1-3,5-8,11-12,26H,4,9-10H2,(H,23,27)(H,24,28)/b17-12-
InChIKey PTWIZJCMWNUNOJ-ATVHPVEESA-N
Mol Weight 475.97 g/mol
Molecular Formula C21H18ClN3O4S2
Exact Mass 475.042726 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3bSNSfWwcNu
Name 4-[(5Z)-5-(2-Chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N'-(3-hydroxybenzoyl)butanohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 475.042726116 u
Formula C21H18ClN3O4S2
InChI InChI=1S/C21H18ClN3O4S2/c22-16-8-2-1-5-13(16)12-17-20(29)25(21(30)31-17)10-4-9-18(27)23-24-19(28)14-6-3-7-15(26)11-14/h1-3,5-8,11-12,26H,4,9-10H2,(H,23,27)(H,24,28)/b17-12-
InChIKey PTWIZJCMWNUNOJ-ATVHPVEESA-N
Molecular Weight 475.965 g/mol
SMILES N(NC(C=1C=C(C=CC1)O)=O)C(CCCN1C(S\C(C1=O)=C\C=1C(Cl)=CC=CC1)=S)=O