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1-(4-Chlorophenyl)-2-[[4-(4-methoxyphenyl)-5-(p-toluidinomethyl)-1,2,4-triazol-3-yl]thio]ethanone
SpectraBase Compound ID Jk4W4rwPqwd
InChI InChI=1S/C25H23ClN4O2S/c1-17-3-9-20(10-4-17)27-15-24-28-29-25(30(24)21-11-13-22(32-2)14-12-21)33-16-23(31)18-5-7-19(26)8-6-18/h3-14,27H,15-16H2,1-2H3
InChIKey QRUILPZCMOYLCV-UHFFFAOYSA-N
Mol Weight 479.0 g/mol
Molecular Formula C25H23ClN4O2S
Exact Mass 478.123025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CIoyCx6suyE
Name 1-(4-Chlorophenyl)-2-[[4-(4-methoxyphenyl)-5-(p-toluidinomethyl)-1,2,4-triazol-3-yl]thio]ethanone
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Formula C25H23ClN4O2S
InChI InChI=1S/C25H23ClN4O2S/c1-17-3-9-20(10-4-17)27-15-24-28-29-25(30(24)21-11-13-22(32-2)14-12-21)33-16-23(31)18-5-7-19(26)8-6-18/h3-14,27H,15-16H2,1-2H3
InChIKey QRUILPZCMOYLCV-UHFFFAOYSA-N
Molecular Weight 478.998 g/mol
SMILES N(Cc1[n](c(nn1)SCC(c1ccc(cc1)Cl)=O)-c1ccc(cc1)OC)c1ccc(cc1)C
SPLASH splash10-00di-3910100000-15fc31b182c6eb428b95
Synonyms 1-(4-Chlorophenyl)-2-[[4-(4-methoxyphenyl)-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone 1-(4-Chlorophenyl)-2-[[4-(4-methoxyphenyl)-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]thio]ethanone 1-(4-Chlorophenyl)-2-[[4-(4-methoxyphenyl)-5-[[(4-methylphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone
Wiley ID 1460986