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

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acetic acid, [[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(1-methylethyl)phenyl]methylidene]hydrazide
SpectraBase Compound ID 8SuWJgIbC8q
InChI InChI=1S/C27H26ClN5OS/c1-18(2)21-8-6-20(7-9-21)16-29-30-25(34)17-35-27-32-31-26(22-10-12-23(28)13-11-22)33(27)24-14-4-19(3)5-15-24/h4-16,18H,17H2,1-3H3,(H,30,34)/b29-16+
InChIKey RIFHFAWQQDWPDX-MUFRIFMGSA-N
Mol Weight 504.05 g/mol
Molecular Formula C27H26ClN5OS
Exact Mass 503.154659 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1v7qZKv10FA
Name Acetic acid, [[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(1-methylethyl)phenyl]methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 503.154659350 u
Formula C27H26ClN5OS
InChI InChI=1S/C27H26ClN5OS/c1-18(2)21-8-6-20(7-9-21)16-29-30-25(34)17-35-27-32-31-26(22-10-12-23(28)13-11-22)33(27)24-14-4-19(3)5-15-24/h4-16,18H,17H2,1-3H3,(H,30,34)/b29-16+
InChIKey RIFHFAWQQDWPDX-MUFRIFMGSA-N
Molecular Weight 504.052 g/mol
SMILES N(\N=C\C1=CC=C(C=C1)C(C)C)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)Cl)C1=CC=C(C=C1)C)=O