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

View entire compound with spectra: 2 NMR

2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
SpectraBase Compound ID AVJvkyqsGuk
InChI InChI=1S/C29H26ClN7OS/c1-19-9-11-22(12-10-19)28-33-34-29(36(28)24-15-13-23(30)14-16-24)39-18-27(38)32-31-17-26-20(2)35-37(21(26)3)25-7-5-4-6-8-25/h4-17H,18H2,1-3H3,(H,32,38)/b31-17+
InChIKey GNVPKWKKZLEXDZ-KBVAKVRCSA-N
Mol Weight 556.09 g/mol
Molecular Formula C29H26ClN7OS
Exact Mass 555.160807 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID xAnVSuKXBS
Name 2-{[4-(4-Chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 555.160807358 u
Formula C29H26ClN7OS
InChI InChI=1S/C29H26ClN7OS/c1-19-9-11-22(12-10-19)28-33-34-29(36(28)24-15-13-23(30)14-16-24)39-18-27(38)32-31-17-26-20(2)35-37(21(26)3)25-7-5-4-6-8-25/h4-17H,18H2,1-3H3,(H,32,38)/b31-17+
InChIKey GNVPKWKKZLEXDZ-KBVAKVRCSA-N
Molecular Weight 556.088 g/mol
SMILES N(\N=C\C1=C(N(C=2C=CC=CC2)N=C1C)C)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)C)C=1C=CC(=CC1)Cl)=O