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

View entire compound with spectra: 2 NMR

acetic acid, [[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]hydrazide
SpectraBase Compound ID DhTPSbkIFvL
InChI InChI=1S/C22H19ClN6OS/c1-28-13-5-8-19(28)14-24-25-20(30)15-31-22-27-26-21(16-9-11-17(23)12-10-16)29(22)18-6-3-2-4-7-18/h2-14H,15H2,1H3,(H,25,30)/b24-14+
InChIKey ZFVHKUBHRTXPHZ-ZVHZXABRSA-N
Mol Weight 450.95 g/mol
Molecular Formula C22H19ClN6OS
Exact Mass 450.102958 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7fHmRa6h2A2
Name Acetic acid, [[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.102958129 u
Formula C22H19ClN6OS
InChI InChI=1S/C22H19ClN6OS/c1-28-13-5-8-19(28)14-24-25-20(30)15-31-22-27-26-21(16-9-11-17(23)12-10-16)29(22)18-6-3-2-4-7-18/h2-14H,15H2,1H3,(H,25,30)/b24-14+
InChIKey ZFVHKUBHRTXPHZ-ZVHZXABRSA-N
Molecular Weight 450.948 g/mol
SMILES N(\N=C\C=1N(C=CC1)C)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)Cl)C=1C=CC=CC1)=O