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5,5-Diphenyl-3-[(3-methyl-2-pyridyl)amino]methyl]-2-thiohydantoin

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 2 UV-Vis

5,5-Diphenyl-3-[(3-methyl-2-pyridyl)amino]methyl]-2-thiohydantoin
SpectraBase Compound ID AY24fUBaFvJ
InChI InChI=1S/C22H20N4OS/c1-16-9-8-14-23-19(16)24-15-26-20(27)22(25-21(26)28,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-14H,15H2,1H3,(H,23,24)(H,25,28)
InChIKey PQLROMLTINMQQE-UHFFFAOYSA-N
Mol Weight 388.49 g/mol
Molecular Formula C22H20N4OS
Exact Mass 388.135782 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 8ZMb4att05C
Name 5,5-Diphenyl-3-[(3-methyl-2-pyridyl)amino]methyl]-2-thiohydantoin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.135782453 u
Formula C22H20N4OS
InChI InChI=1S/C22H20N4OS/c1-16-9-8-14-23-19(16)24-15-26-20(27)22(25-21(26)28,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-14H,15H2,1H3,(H,23,24)(H,25,28)
InChIKey PQLROMLTINMQQE-UHFFFAOYSA-N
Molecular Weight 388.489 g/mol
SMILES N(C1=C(C)C=CC=N1)CN1C(C(NC1=S)(C=1C=CC=CC1)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Raman) 0.99348