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2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4-dichlorophenyl)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)-(3,4-dichlorophenyl)methylidene]acetohydrazide
SpectraBase Compound ID G9No7htXvRx
InChI InChI=1S/C23H15Cl4N5OS/c24-16-4-2-15(3-5-16)22-30-31-23(32(22)18-8-6-17(25)7-9-18)34-13-21(33)29-28-12-14-1-10-19(26)20(27)11-14/h1-12H,13H2,(H,29,33)/b28-12+
InChIKey HXCBPQZEVOFCFJ-KVSWJAHQSA-N
Mol Weight 551.3 g/mol
Molecular Formula C23H15Cl4N5OS
Exact Mass 548.975142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ImR5ZIoWRgp
Name 2-{[4,5-bis(4-Chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4-dichlorophenyl)methylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 548.975142096 u
Formula C23H15Cl4N5OS
InChI InChI=1S/C23H15Cl4N5OS/c24-16-4-2-15(3-5-16)22-30-31-23(32(22)18-8-6-17(25)7-9-18)34-13-21(33)29-28-12-14-1-10-19(26)20(27)11-14/h1-12H,13H2,(H,29,33)/b28-12+
InChIKey HXCBPQZEVOFCFJ-KVSWJAHQSA-N
Molecular Weight 551.279 g/mol
SMILES N(\N=C\C=1C=C(Cl)C(=CC1)Cl)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)Cl)C1=CC=C(C=C1)Cl)=O