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5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl (1E)-N-(2-methylphenyl)-2-oxopropanehydrazonothioate

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5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl (1E)-N-(2-methylphenyl)-2-oxopropanehydrazonothioate
SpectraBase Compound ID KG97QbDFbb8
InChI InChI=1S/C24H19Cl2N5OS/c1-15-8-6-7-11-21(15)27-29-23(16(2)32)33-24-30-28-22(19-13-12-17(25)14-20(19)26)31(24)18-9-4-3-5-10-18/h3-14,27H,1-2H3/b29-23+
InChIKey WZHYRTAJSCGPPG-BYNJWEBRSA-N
Mol Weight 496.42 g/mol
Molecular Formula C24H19Cl2N5OS
Exact Mass 495.068737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KC0DSVHm3ez
Name 5-(2,4-Dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl (1E)-N-(2-methylphenyl)-2-oxopropanehydrazonothioate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 495.068736825 u
Formula C24H19Cl2N5OS
InChI InChI=1S/C24H19Cl2N5OS/c1-15-8-6-7-11-21(15)27-29-23(16(2)32)33-24-30-28-22(19-13-12-17(25)14-20(19)26)31(24)18-9-4-3-5-10-18/h3-14,27H,1-2H3/b29-23+
InChIKey WZHYRTAJSCGPPG-BYNJWEBRSA-N
Molecular Weight 496.416 g/mol
SMILES N(\N=C/(SC=1N(C(=NN1)C=1C(=CC(=CC1)Cl)Cl)C=1C=CC=CC1)C(=O)C)C1=C(C)C=CC=C1