335110 <common-name>4-(2,4-dimethylphenyl)-3-[(4-phenylphenoxy)methyl]-1h-1,2,4-triazole-5-thione</common-name> <description>4-(2,4-dimethylphenyl)-3-[(4-phenylphenoxy)methyl]-1h-1,2,4-triazole-5-thione is a chemical compound with the formula C23H21N3OS. It has an average molecular weight of 387.50 g/mol.</description> <cas>68869-54-5</cas> <pubchem-id>3052509</pubchem-id> <chemical-formula>C23H21N3OS</chemical-formula> <weight>387.5</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">2026-08-30T17:07:30Z</created-at> <updated-at type="dateTime">2026-08-30T17:07:30Z</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)COC3=CC=C(C=C3)C4=CC=CC=C4)C</moldb-smiles> <moldb-formula>C23H21N3OS</moldb-formula> <moldb-inchi>InChI=1S/C23H21N3OS/c1-16-8-13-21(17(2)14-16)26-22(24-25-23(26)28)15-27-20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,28)</moldb-inchi> <moldb-inchikey>BDJUSHWQEUAFNE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">387.1405335</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.6</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>CHEM331003</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>4-(2,4-dimethylphenyl)-3-[(4-phenylphenoxy)methyl]-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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Biphenyls and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0285585</sync-id> <structure-inchikey>BDJUSHWQEUAFNE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20800042000000000000000010000000080200001000000000000000000002200000000000002004000000000000000000000000000000000000000000000000000000000000000002000000000104000200008040000000000000000000000000000000100000800000000100000000000000000004000000000040000000800000600000000000800000000100002000000000000000000100000000000000000000080100000000000000080000000000000000000000000000000000000001000000000000000000800000042000020200000000000040000100000000000040000000001000000000000800000040080000000000</structure-fingerprint> 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