<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">350258</id>
  <title nil="true"/>
  <common-name>2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-(4-phenylmethoxyphenyl)methylideneamino]acetamide</common-name>
  <description>2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is a chemical compound with the formula C30H24BrN5O2S. With an average molecular weight of 598.50 g/mol, 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is a heavy molecule.</description>
  <cas>303092-84-4</cas>
  <pubchem-id>6891816</pubchem-id>
  <chemical-formula>C30H24BrN5O2S</chemical-formula>
  <weight>598.5</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">2026-08-31T15:13:11Z</created-at>
  <updated-at type="dateTime">2026-08-31T15:13:11Z</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>C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NNC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)Br</moldb-smiles>
  <moldb-formula>C30H24BrN5O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C30H24BrN5O2S/c31-25-15-13-24(14-16-25)29-34-35-30(36(29)26-9-5-2-6-10-26)39-21-28(37)33-32-19-22-11-17-27(18-12-22)38-20-23-7-3-1-4-8-23/h1-19H,20-21H2,(H,33,37)/b32-19+</moldb-inchi>
  <moldb-inchikey>KCJUZBTXKFFJKF-BIZUNTBRSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">597.08341</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.7</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <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>CHEM346151</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-phenyl-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-(4-phenylmethoxyphenyl)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>CED0300565</sync-id>
  <structure-inchikey>KCJUZBTXKFFJKF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40004000200000800002100800000000000000000000000000000000000002000000000402200004008000002084000000000000000000000000200000000000000000000000000000000000000022000000000300000204800050000000000000010000000000000080000000800400080100000000000000000000000000004000200000800000000000000084880000010100000000000000000000000000000000000000000000080000000000000000480000000000002c00000000000000004000000000000100004000000000000000002000000220000000000000000040000000001048000000000400000000010000000040000000004020</structure-fingerprint>
  <structure-pattern-fingerprint>5014c0108d32865081001b408138bb000a0014008705204000bd20c08224894c6c022018139000001100490800c00080046002a4c08d32290164643104a04010d7110c011290160800901040007202800804058053211b3340041462440249000c29052f00489220600c0400d5b4024d208680700901e18c7938086002510202104829180ef082080c0602504aac0018391d1a1244409c8a50030820604064a4404730139090c03080040960017c35104ac204028941084018200a1048c00272a04010a424d8113205808404541152980c010000024050200d730284080003049010411008c90144130a0013dd1220820050003080c2040e0108908072100606</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAnAAAAKwAAAIABBkBoAAAAAwMBBkBoAAAA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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:48:14Z</structure-indexed-at>
</compound>
