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2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-bromophenyl)methylidene]acetohydrazide

View entire compound with spectra: 2 NMR

2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-bromophenyl)methylidene]acetohydrazide
SpectraBase Compound ID CmHNf1POlCD
InChI InChI=1S/C23H16BrCl2N5OS/c24-20-4-2-1-3-16(20)13-27-28-21(32)14-33-23-30-29-22(15-5-7-17(25)8-6-15)31(23)19-11-9-18(26)10-12-19/h1-13H,14H2,(H,28,32)/b27-13+
InChIKey KMSXTDYKYIYVTL-UVHMKAGCSA-N
Mol Weight 561.29 g/mol
Molecular Formula C23H16BrCl2N5OS
Exact Mass 558.9636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gslkf7mZsfU
Name 2-{[4,5-bis(4-Chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-bromophenyl)methylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 558.963599728 u
Formula C23H16BrCl2N5OS
InChI InChI=1S/C23H16BrCl2N5OS/c24-20-4-2-1-3-16(20)13-27-28-21(32)14-33-23-30-29-22(15-5-7-17(25)8-6-15)31(23)19-11-9-18(26)10-12-19/h1-13H,14H2,(H,28,32)/b27-13+
InChIKey KMSXTDYKYIYVTL-UVHMKAGCSA-N
Molecular Weight 561.285 g/mol
SMILES N(\N=C\C=1C(Br)=CC=CC1)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)Cl)C1=CC=C(C=C1)Cl)=O