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

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acetic acid, [[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(5-methyl-2-thienyl)methylidene]hydrazide
SpectraBase Compound ID IhwKK0k8FSa
InChI InChI=1S/C22H18ClN5OS2/c1-15-7-12-19(31-15)13-24-25-20(29)14-30-22-27-26-21(16-8-10-17(23)11-9-16)28(22)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,25,29)/b24-13+
InChIKey QNPDKPSGGGRNHS-ZMOGYAJESA-N
Mol Weight 467.99 g/mol
Molecular Formula C22H18ClN5OS2
Exact Mass 467.06413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9t2p2WuBa03
Name Acetic acid, [[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(5-methyl-2-thienyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.064130267 u
Formula C22H18ClN5OS2
InChI InChI=1S/C22H18ClN5OS2/c1-15-7-12-19(31-15)13-24-25-20(29)14-30-22-27-26-21(16-8-10-17(23)11-9-16)28(22)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,25,29)/b24-13+
InChIKey QNPDKPSGGGRNHS-ZMOGYAJESA-N
Molecular Weight 467.993 g/mol
SMILES N(\N=C\C=1SC(C)=CC1)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)Cl)C=1C=CC=CC1)=O