295689 <common-name>3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-(furan-2-yl)-1,2,4-triazole</common-name> <description>3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-(furan-2-yl)-1,2,4-triazole belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. This compound has the chemical formula C15H14BrN3OS and an average molecular weight of 364.30 g/mol.</description> <cas>618413-69-7</cas> <pubchem-id>1983730</pubchem-id> <chemical-formula>C15H14BrN3OS</chemical-formula> <weight>364.3</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">2026-08-28T11:44:14Z</created-at> <updated-at type="dateTime">2026-08-28T11:44:14Z</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>CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=CO3</moldb-smiles> <moldb-formula>C15H14BrN3OS</moldb-formula> <moldb-inchi>InChI=1S/C15H14BrN3OS/c1-2-19-14(13-7-4-8-20-13)17-18-15(19)21-10-11-5-3-6-12(16)9-11/h3-9H,2,10H2,1H3</moldb-inchi> <moldb-inchikey>OJLXUPAIJDMXCL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">363.0041</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM291582</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>3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-(furan-2-yl)-1,2,4-triazole</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>Organosulfur compounds</superklass> <klass>Thioethers</klass> <subklass>Aryl thioethers</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0247121</sync-id> <structure-inchikey>OJLXUPAIJDMXCL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000000800000000840000000000000000000000000000000000000000002001000000004000000002000200000000000000001002004000000000000000000000000000000000000000000800000000000000000800010002200001000200000000000200000100000000400000100000000000000000100000001000040200000800000000000000000080000000000000000500000000000100000000000000000000000080000000000000000400000000000000800000000000000000000000000000100000000000000000000002000000220200040000004000000000004000040000000000002000000000000000000000000000000</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���h���h���h���h�� h���h�B����������� �� � ����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:07:07Z</structure-indexed-at> </compound>