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ethanone, 1-(4-bromophenyl)-2-[[5-[[(3,4-dichlorophenyl)amino]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID FxQBu5XFiT4
InChI InChI=1S/C23H17BrCl2N4OS/c24-16-8-6-15(7-9-16)21(31)14-32-23-29-28-22(30(23)18-4-2-1-3-5-18)13-27-17-10-11-19(25)20(26)12-17/h1-12,27H,13-14H2
InChIKey QPFXWKQXMNFCGC-UHFFFAOYSA-N
Mol Weight 548.29 g/mol
Molecular Formula C23H17BrCl2N4OS
Exact Mass 545.968351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUGPf9xymbn
Name 1-(4-bromophenyl)-2-[[5-[(3,4-dichloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
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Formula C23H17BrCl2N4OS
InChI InChI=1S/C23H17BrCl2N4OS/c24-16-8-6-15(7-9-16)21(31)14-32-23-29-28-22(30(23)18-4-2-1-3-5-18)13-27-17-10-11-19(25)20(26)12-17/h1-12,27H,13-14H2
InChIKey QPFXWKQXMNFCGC-UHFFFAOYSA-N
Molecular Weight 548.286 g/mol
SMILES N(Cc1[n](c(nn1)SCC(c1ccc(cc1)Br)=O)-c1ccccc1)c1cc(Cl)c(cc1)Cl
SPLASH splash10-0fb9-7900000000-d327c18c932f2eeef3dd
Synonyms 1-(4-bromophenyl)-2-[[5-[(3,4-dichloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone 1-(4-bromophenyl)-2-[[5-[[(3,4-dichlorophenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Wiley ID 1466251