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<compound>
  <id type="integer">337835</id>
  <title nil="true"/>
  <common-name>3-[(9-bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-(4-methylphenyl)-1h-1,2,4-triazole-5-thione</common-name>
  <description>3-[(9-bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-(4-methylphenyl)-1h-1,2,4-triazole-5-thione is a chemical compound with the formula C24H17BrN6S. With an average molecular weight of 501.40 g/mol, 3-[(9-bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-(4-methylphenyl)-1h-1,2,4-triazole-5-thione is a heavy molecule.</description>
  <cas>109322-27-2</cas>
  <pubchem-id>3065968</pubchem-id>
  <chemical-formula>C24H17BrN6S</chemical-formula>
  <weight>501.4</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-30T20:48:27Z</created-at>
  <updated-at type="dateTime">2026-08-30T20:48:27Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC1=CC=C(C=C1)N2C(=NNC2=S)CN3C4=C(C=C(C=C4)Br)C5=NC6=CC=CC=C6N=C53</moldb-smiles>
  <moldb-formula>C24H17BrN6S</moldb-formula>
  <moldb-inchi>InChI=1S/C24H17BrN6S/c1-14-6-9-16(10-7-14)31-21(28-29-24(31)32)13-30-20-11-8-15(25)12-17(20)22-23(30)27-19-5-3-2-4-18(19)26-22/h2-12H,13H2,1H3,(H,29,32)</moldb-inchi>
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  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">500.04188</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.5</logp>
  <hmdb-id nil="true"/>
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  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM333728</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>3-[(9-bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-(4-methylphenyl)-1h-1,2,4-triazole-5-thione</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Azoles</klass>
  <subklass>Triazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0288264</sync-id>
  <structure-inchikey>JJBAEQGORYXLIS-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:38:48Z</structure-indexed-at>
</compound>
