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1H-Pyrazole-1-carbothioamide, 4,5-dihydro-5-(2-oxo-2-phenylethyl)-3,5-diphenyl-
SpectraBase Compound ID G4fER5ACdyn
InChI InChI=1S/C24H21N3OS/c25-23(29)27-24(20-14-8-3-9-15-20,17-22(28)19-12-6-2-7-13-19)16-21(26-27)18-10-4-1-5-11-18/h1-15H,16-17H2,(H2,25,29)
InChIKey UMWUAQBSBHZZMM-UHFFFAOYSA-N
Mol Weight 399.51 g/mol
Molecular Formula C24H21N3OS
Exact Mass 399.140533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JiP6C2umk1v
Name 1H-Pyrazole-1-carbothioamide, 4,5-dihydro-5-(2-oxo-2-phenylethyl)-3,5-diphenyl-
CAS Registry Number 95921-53-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21N3OS
InChI InChI=1S/C24H21N3OS/c25-23(29)27-24(20-14-8-3-9-15-20,17-22(28)19-12-6-2-7-13-19)16-21(26-27)18-10-4-1-5-11-18/h1-15H,16-17H2,(H2,25,29)
InChIKey UMWUAQBSBHZZMM-UHFFFAOYSA-N
Molecular Weight 399.512 g/mol
SMILES NC(N1C(CC(=N1)c1ccccc1)(CC(=O)c1ccccc1)c1ccccc1)=S
SPLASH splash10-0kl0-3595000000-5aabc0f95b8306744cc9
Source of Spectrum F-40-4905-0
Synonyms 1-Aminothiocarbonyl-5-phenacyl-3,5-diphenyl-2-pyrazoline 5-(2-oxo-2-phenylethyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Wiley ID 1369052