335091 <common-name>Methyl 4-[(e)-[2-(4-butoxyphenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]benzoate</common-name> <description>Methyl 4-[(e)-[2-(4-butoxyphenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]benzoate is a chemical compound with the formula C23H21N3O4S. It has an average molecular weight of 435.50 g/mol.</description> <cas>606962-78-1</cas> <pubchem-id>2185850</pubchem-id> <chemical-formula>C23H21N3O4S</chemical-formula> <weight>435.5</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">2026-08-30T17:05:49Z</created-at> <updated-at type="dateTime">2026-08-30T17:05:49Z</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>CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=C(C=C4)C(=O)OC)SC3=N2</moldb-smiles> <moldb-formula>C23H21N3O4S</moldb-formula> <moldb-inchi>InChI=1S/C23H21N3O4S/c1-3-4-13-30-18-11-9-16(10-12-18)20-24-23-26(25-20)21(27)19(31-23)14-15-5-7-17(8-6-15)22(28)29-2/h5-12,14H,3-4,13H2,1-2H3/b19-14+</moldb-inchi> <moldb-inchikey>JGXVNCFCVBSVGV-XMHGGMMESA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">435.1252773</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.4</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>CHEM330984</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>Methyl 4-[(e)-[2-(4-butoxyphenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]benzoate</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>CED0285566</sync-id> <structure-inchikey>JGXVNCFCVBSVGV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40040000000008000800002000000000040002080000000080000000000000000004002010020200000000000002000000008000000000000000000000080000000000000000000010002000000000020000010000300000200000000000000000020010000000048000000000000802000000100000000000000000000000020000040000000000000000000000080800000000010000000000000000000000200000000000000000000084000000000000400080000000000000000010000000000000000000000000000000000000000004000100000000200000400000000000000000001000040000000010400000000080000000002000002004000</structure-fingerprint> 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