<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">342009</id>
  <title nil="true"/>
  <common-name>(5z)-3-methyl-5-[[3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one</common-name>
  <description>(5z)-3-methyl-5-[[3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a chemical compound with the formula C25H25N3O2S2. It has an average molecular weight of 463.60 g/mol.</description>
  <cas>623934-88-3</cas>
  <pubchem-id>1986807</pubchem-id>
  <chemical-formula>C25H25N3O2S2</chemical-formula>
  <weight>463.6</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">2026-08-31T02:46:20Z</created-at>
  <updated-at type="dateTime">2026-08-31T02:46:20Z</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=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C)C4=CC=CC=C4)OCC(C)C</moldb-smiles>
  <moldb-formula>C25H25N3O2S2</moldb-formula>
  <moldb-inchi>InChI=1S/C25H25N3O2S2/c1-16(2)15-30-21-11-10-18(12-17(21)3)23-19(13-22-24(29)27(4)25(31)32-22)14-28(26-23)20-8-6-5-7-9-20/h5-14,16H,15H2,1-4H3/b22-13-</moldb-inchi>
  <moldb-inchikey>OCFJQGLFDOQBRF-XKZIYDEJSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">463.1388194</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.3</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>CHEM337902</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>(5z)-3-methyl-5-[[3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one</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>Pyrazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0292404</sync-id>
  <structure-inchikey>OCFJQGLFDOQBRF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000000000000008002400002000000000000000000000001000000000200004050000000201000000000000020040000000000000000008000000000000000000000000000000000000000010000200000100003000000000000000000000000000000000800000001001100008000080001000080400000100000000000000041c0000002800000000000004000800000000100000000000000000000000000000000000000400000080100000000000000090000020200060000000000000000000000000000000000000000000000000000042800000200000000002000000040000100000040000000800000000000080020000000000a00000008</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ���������������� ���#���€���`������@(������@(������@h�������@h�������@(������@h�������@(������@(������@(������@h�������@(�������h��������(�������(�������(�������(�������(�������(������� ������`������@(������@h�������@h�������@h�������@h�������@h��������(�������`�������`�������`�������`�����������h���h���h���h���h��� ��h��	h�	
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	����������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:41:48Z</structure-indexed-at>
</compound>
