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3-(4-Methylphenyl)-4-phenyl-5-(phenylsulfanyl)-4H-1,2,4-triazole
SpectraBase Compound ID Dz2HpbjUMOm
InChI InChI=1S/C21H17N3S/c1-16-12-14-17(15-13-16)20-22-23-21(25-19-10-6-3-7-11-19)24(20)18-8-4-2-5-9-18/h2-15H,1H3
InChIKey WEHUQDVPEWKLGH-UHFFFAOYSA-N
Mol Weight 343.45 g/mol
Molecular Formula C21H17N3S
Exact Mass 343.114319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7VqlfthJH19
Name 3-(4-Methylphenyl)-4-phenyl-5-(phenylsulfanyl)-4H-1,2,4-triazole
CAS Registry Number 321579-76-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N3S
InChI InChI=1S/C21H17N3S/c1-16-12-14-17(15-13-16)20-22-23-21(25-19-10-6-3-7-11-19)24(20)18-8-4-2-5-9-18/h2-15H,1H3
InChIKey WEHUQDVPEWKLGH-UHFFFAOYSA-N
Molecular Weight 343.448 g/mol
SMILES Cc1ccc(cc1)-c1nnc([n]1-c1ccccc1)Sc1ccccc1
SPLASH splash10-002f-9321000000-5b3b3adcdd805b159f6d
Source of Spectrum AD-0-2532-0
Synonyms 1,2,4-Triazole, 3-(4-methylphenyl)-4-phenyl-5-phenylthio- 3-(4-Methylphenyl)-4-phenyl-5-(phenylthio)-1,2,4-triazole 3-(4-Methylphenyl)-4-phenyl-5-phenylsulfanyl-1,2,4-triazole 4-Phenyl-3-(phenylthio)-5-(p-tolyl)-1,2,4-triazole 4-Phenyl-3-phenylsulfanyl-5-(p-tolyl)-1,2,4-triazole
Wiley ID 1424832