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

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2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
SpectraBase Compound ID GPWz1ccUxtT
InChI InChI=1S/C24H16Cl2F3N5OS/c25-18-7-3-16(4-8-18)22-32-33-23(34(22)20-11-9-19(26)10-12-20)36-14-21(35)31-30-13-15-1-5-17(6-2-15)24(27,28)29/h1-13H,14H2,(H,31,35)/b30-13+
InChIKey FBOYNMQJJQFPAF-VVEOGCPPSA-N
Mol Weight 550.39 g/mol
Molecular Formula C24H16Cl2F3N5OS
Exact Mass 549.040471 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9DgEhhDDCgY
Name 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C24H16Cl2F3N5OS/c25-18-7-3-16(4-8-18)22-32-33-23(34(22)20-11-9-19(26)10-12-20)36-14-21(35)31-30-13-15-1-5-17(6-2-15)24(27,28)29/h1-13H,14H2,(H,31,35)/b30-13+
InChIKey FBOYNMQJJQFPAF-VVEOGCPPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_15305
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: C24813; Labnumber: UGRES-07729; SBI_ID: SBI-015308
Synonyms 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[4-(trifluoromethyl)phenyl]methylidene}acetohydrazide
Temperature 318 °C