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(5E)-5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylene]-3-phenyl-2-thioxo-4-imidazolidinone
SpectraBase Compound ID 52yL1RiICfh
InChI InChI=1S/C25H18N4OS/c30-24-22(26-25(31)29(24)21-14-8-3-9-15-21)16-19-17-28(20-12-6-2-7-13-20)27-23(19)18-10-4-1-5-11-18/h1-17H,(H,26,31)/b22-16+
InChIKey FHASDIZHPZVOFG-CJLVFECKSA-N
Mol Weight 422.51 g/mol
Molecular Formula C25H18N4OS
Exact Mass 422.120132 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vrl5ahgRqF
Name (5E)-5-[(1,3-Diphenyl-1H-pyrazol-4-yl)methylene]-3-phenyl-2-thioxo-4-imidazolidinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.120132389 u
Formula C25H18N4OS
InChI InChI=1S/C25H18N4OS/c30-24-22(26-25(31)29(24)21-14-8-3-9-15-21)16-19-17-28(20-12-6-2-7-13-20)27-23(19)18-10-4-1-5-11-18/h1-17H,(H,26,31)/b22-16+
InChIKey FHASDIZHPZVOFG-CJLVFECKSA-N
Molecular Weight 422.506 g/mol
SMILES N1\C(C(N(C1=S)C1=CC=CC=C1)=O)=C\C=1C(=NN(C1)C1=CC=CC=C1)C=1C=CC=CC1