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1H-Pyrazole, 1,4-diphenyl-5-(phenylthio)-
SpectraBase Compound ID IMCn66J7JUL
InChI InChI=1S/C21H16N2S/c1-4-10-17(11-5-1)20-16-22-23(18-12-6-2-7-13-18)21(20)24-19-14-8-3-9-15-19/h1-16H
InChIKey BLBUCROGQBSSBW-UHFFFAOYSA-N
Mol Weight 328.43 g/mol
Molecular Formula C21H16N2S
Exact Mass 328.10342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JDebWhZScvz
Name 1H-Pyrazole, 1,4-diphenyl-5-(phenylthio)-
CAS Registry Number 79489-87-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N2S
InChI InChI=1S/C21H16N2S/c1-4-10-17(11-5-1)20-16-22-23(18-12-6-2-7-13-18)21(20)24-19-14-8-3-9-15-19/h1-16H
InChIKey BLBUCROGQBSSBW-UHFFFAOYSA-N
Molecular Weight 328.433 g/mol
SMILES c1(c(cn[n]1-c1ccccc1)-c1ccccc1)Sc1ccccc1
SPLASH splash10-004i-2009000000-635c0eb2082f867645de
Source of Spectrum K-114-2462-0
Synonyms 1,4-Diphenyl-1H-pyrazol-5-yl phenyl sulfide 1,4-Diphenyl-5-(phenylsulfanyl)-1H-pyrazole 1,4-Diphenyl-5-(phenylthio)pyrazole
Wiley ID 1326638