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2-{[4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl]thio}-1-(p-tolyl)ethan-1-one
SpectraBase Compound ID G5K8GieSbw6
InChI InChI=1S/C24H21N3OS/c1-17-8-12-19(13-9-17)22(28)16-29-24-26-25-23(20-14-10-18(2)11-15-20)27(24)21-6-4-3-5-7-21/h3-15H,16H2,1-2H3
InChIKey IFFPGUOYFWFVTA-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 JicCDHLTG1K
Name 2-{[4-Phenyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl]thio}-1-(p-tolyl)ethan-1-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21N3OS
InChI InChI=1S/C24H21N3OS/c1-17-8-12-19(13-9-17)22(28)16-29-24-26-25-23(20-14-10-18(2)11-15-20)27(24)21-6-4-3-5-7-21/h3-15H,16H2,1-2H3
InChIKey IFFPGUOYFWFVTA-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202000170
Molecular Weight 399.512 g/mol
SMILES c1([n](c(nn1)SCC(c1ccc(cc1)C)=O)-c1ccccc1)-c1ccc(cc1)C
SPLASH splash10-01pk-0239000000-96e4abd9a84c842c0b93
Source of Spectrum APC-353-SM26-22
Wiley ID 1855805