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N'-[(E)-1-[1,1'-biphenyl]-4-ylethylidene]-2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
SpectraBase Compound ID 6Fb0ZWjQpFL
InChI InChI=1S/C30H23Cl2N5OS/c1-20(21-7-9-23(10-8-21)22-5-3-2-4-6-22)33-34-28(38)19-39-30-36-35-29(24-11-13-25(31)14-12-24)37(30)27-17-15-26(32)16-18-27/h2-18H,19H2,1H3,(H,34,38)/b33-20+
InChIKey MJOBUZBRXHLCNE-FMFFXOCNSA-N
Mol Weight 572.51 g/mol
Molecular Formula C30H23Cl2N5OS
Exact Mass 571.100037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7SVLBdqlkO0
Name N'-[(E)-1-[1,1'-biphenyl]-4-ylethylidene]-2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 571.100036954 u
Formula C30H23Cl2N5OS
InChI InChI=1S/C30H23Cl2N5OS/c1-20(21-7-9-23(10-8-21)22-5-3-2-4-6-22)33-34-28(38)19-39-30-36-35-29(24-11-13-25(31)14-12-24)37(30)27-17-15-26(32)16-18-27/h2-18H,19H2,1H3,(H,34,38)/b33-20+
InChIKey MJOBUZBRXHLCNE-FMFFXOCNSA-N
Molecular Weight 572.514 g/mol
SMILES N(\N=C\(C=1C=CC(=CC1)C1=CC=CC=C1)C)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)Cl)C1=CC=C(C=C1)Cl)=O