<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">338038</id>
  <title nil="true"/>
  <common-name>2-[[5-(3,5-dibromo-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-n-(phenylcarbamoyl)acetamide</common-name>
  <description>2-[[5-(3,5-dibromo-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-n-(phenylcarbamoyl)acetamide is a chemical compound with the formula C24H19Br2N5O3S. With an average molecular weight of 617.30 g/mol, 2-[[5-(3,5-dibromo-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-n-(phenylcarbamoyl)acetamide is a heavy molecule.</description>
  <cas>97399-34-3</cas>
  <pubchem-id>135849850</pubchem-id>
  <chemical-formula>C24H19Br2N5O3S</chemical-formula>
  <weight>617.3</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">2026-08-30T21:04:13Z</created-at>
  <updated-at type="dateTime">2026-08-30T21:04:13Z</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(=NN=C2SCC(=O)NC(=O)NC3=CC=CC=C3)C4=C(C(=CC(=C4)Br)Br)O</moldb-smiles>
  <moldb-formula>C24H19Br2N5O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C24H19Br2N5O3S/c1-14-7-9-17(10-8-14)31-22(18-11-15(25)12-19(26)21(18)33)29-30-24(31)35-13-20(32)28-23(34)27-16-5-3-2-4-6-16/h2-12,33H,13H2,1H3,(H2,27,28,32,34)</moldb-inchi>
  <moldb-inchikey>VHDFAPJYFPGGDO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">614.95754</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6</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>CHEM333931</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-(3,5-dibromo-2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-n-(phenylcarbamoyl)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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>N-phenylureas</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0288467</sync-id>
  <structure-inchikey>VHDFAPJYFPGGDO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000200000800000000800000000010000000100200000005000020000000000000000000004008000002084000000000000000800000000000000000000000000000000000000000000080020000000000001000200800010000000008000010000004000000000100000000400000100000000000000000000000000000040000400800000010000000080080000000100000000000000000000000000004000000020000000080000000000000000408000000000002c00000000000000000000002000000100000000000000000000002000000200000000000000008140000000000040000000000480080000010000000640000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:38:56Z</structure-indexed-at>
</compound>
