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<compound>
  <id type="integer">335554</id>
  <title nil="true"/>
  <common-name>2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-(4-ethoxyphenyl)methylideneamino]acetamide</common-name>
  <description>2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-(4-ethoxyphenyl)methylideneamino]acetamide is a chemical compound with the formula C23H24BrN5O2S. With an average molecular weight of 514.40 g/mol, 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-(4-ethoxyphenyl)methylideneamino]acetamide is a heavy molecule.</description>
  <cas>330838-38-5</cas>
  <pubchem-id>9652349</pubchem-id>
  <chemical-formula>C23H24BrN5O2S</chemical-formula>
  <weight>514.4</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">2026-08-30T17:44:53Z</created-at>
  <updated-at type="dateTime">2026-08-30T17:44:53Z</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>CCOC1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2CC(=C)C)C3=CC=C(C=C3)Br</moldb-smiles>
  <moldb-formula>C23H24BrN5O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C23H24BrN5O2S/c1-4-31-20-11-5-17(6-12-20)13-25-26-21(30)15-32-23-28-27-22(29(23)14-16(2)3)18-7-9-19(24)10-8-18/h5-13H,2,4,14-15H2,1,3H3,(H,26,30)/b25-13+</moldb-inchi>
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  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">513.08341</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.3</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM331447</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>2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-(4-ethoxyphenyl)methylideneamino]acetamide</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>CED0286025</sync-id>
  <structure-inchikey>SEZWJQZCSWXNCC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40004000000400800002000800000000000000000000000000000400000002000002000402200004000000002080000000000000000000000000200000000000000000000000000000000000000020000000000300000204800010000000000000210000000000000080000000800400880100000000002000000000420000000040000000000000000000000184880000000001000000020000000000000000008000000000000200080000000000000000480000000000002800000000000000004000000000000100004000000000000000002000000200000000000000000000800004001048000000000400000000010000000000000000004000</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:37:15Z</structure-indexed-at>
</compound>
