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acetic acid, [[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3-bromophenyl)methylidene]hydrazide

View entire compound with spectra: 2 NMR

acetic acid, [[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3-bromophenyl)methylidene]hydrazide
SpectraBase Compound ID 2XR3bmFHKea
InChI InChI=1S/C23H17Br2N5OS/c24-18-11-9-17(10-12-18)22-28-29-23(30(22)20-7-2-1-3-8-20)32-15-21(31)27-26-14-16-5-4-6-19(25)13-16/h1-14H,15H2,(H,27,31)/b26-14+
InChIKey SLPIARLQVBHBPN-VULFUBBASA-N
Mol Weight 571.29 g/mol
Molecular Formula C23H17Br2N5OS
Exact Mass 568.952057 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AVRzml5wzXz
Name Acetic acid, [[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(3-bromophenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 568.952057360 u
Formula C23H17Br2N5OS
InChI InChI=1S/C23H17Br2N5OS/c24-18-11-9-17(10-12-18)22-28-29-23(30(22)20-7-2-1-3-8-20)32-15-21(31)27-26-14-16-5-4-6-19(25)13-16/h1-14H,15H2,(H,27,31)/b26-14+
InChIKey SLPIARLQVBHBPN-VULFUBBASA-N
Molecular Weight 571.291 g/mol
SMILES N(\N=C\C=1C=C(Br)C=CC1)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)Br)C=1C=CC=CC1)=O