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ethanone, 1-(4-methylphenyl)-2-[[4-(2-methylphenyl)-5-[[(4-methylphenyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID JZCJ58Yik61
InChI InChI=1S/C26H26N4OS/c1-18-8-12-21(13-9-18)24(31)17-32-26-29-28-25(16-27-22-14-10-19(2)11-15-22)30(26)23-7-5-4-6-20(23)3/h4-15,27H,16-17H2,1-3H3
InChIKey RYXNQVHDQHCAMD-UHFFFAOYSA-N
Mol Weight 442.58 g/mol
Molecular Formula C26H26N4OS
Exact Mass 442.182733 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSRmaNndKWV
Name 1-(4-Methylphenyl)-2-[[4-(2-methylphenyl)-5-[[(4-methylphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone
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Formula C26H26N4OS
InChI InChI=1S/C26H26N4OS/c1-18-8-12-21(13-9-18)24(31)17-32-26-29-28-25(16-27-22-14-10-19(2)11-15-22)30(26)23-7-5-4-6-20(23)3/h4-15,27H,16-17H2,1-3H3
InChIKey RYXNQVHDQHCAMD-UHFFFAOYSA-N
Molecular Weight 442.581 g/mol
SMILES N(Cc1[n](c(nn1)SCC(c1ccc(cc1)C)=O)-c1c(C)cccc1)c1ccc(cc1)C
SPLASH splash10-00kf-2912200000-3d735058fb97f913bb89
Synonyms 2-[[4-(o-tolyl)-5-(p-toluidinomethyl)-1,2,4-triazol-3-yl]thio]-1-(p-tolyl)ethanone 2-[[5-[(4-methylanilino)methyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone 2-[[5-[(4-methylanilino)methyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)ethanone 2-[[5-[(4-methylanilino)methyl]-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)ethanone
Wiley ID 1464603