335103 <common-name>4-[4-[4-(3-ethyl-1,3-benzoxazol-2-ylidene)but-2-enylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid</common-name> <description>4-[4-[4-(3-ethyl-1,3-benzoxazol-2-ylidene)but-2-enylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid is a chemical compound with the formula C23H21N3O5S. It has an average molecular weight of 451.50 g/mol.</description> <cas>29637-29-4</cas> <pubchem-id>122437</pubchem-id> <chemical-formula>C23H21N3O5S</chemical-formula> <weight>451.5</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">2026-08-30T17:06:53Z</created-at> <updated-at type="dateTime">2026-08-30T17:06:53Z</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>CCN1C2=CC=CC=C2OC1=CC=CC=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C</moldb-smiles> <moldb-formula>C23H21N3O5S</moldb-formula> <moldb-inchi>InChI=1S/C23H21N3O5S/c1-3-25-20-9-5-6-10-21(20)31-22(25)11-7-4-8-19-16(2)24-26(23(19)27)17-12-14-18(15-13-17)32(28,29)30/h4-15H,3H2,1-2H3,(H,28,29,30)</moldb-inchi> <moldb-inchikey>ORAPKIMSYPKJRA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">451.120192</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.4</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>CHEM330996</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-[4-[4-(3-ethyl-1,3-benzoxazol-2-ylidene)but-2-enylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid</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>Benzenesulfonic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0285578</sync-id> <structure-inchikey>ORAPKIMSYPKJRA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000090002000080800000000000000010000000000500000000000000200002100000002000100204000000000008000000000000000000000000000000008000008800000002000402480004000020000180000000000000000000081000000000000000001002000000000010000000000000000000000000000004000000080000000800000000001000000010000000000000000000000010000000000000000000008000000000000000000008008c000000000000000000000020000000000004000010000000000000000002000000200000000000000200040000000000040080000400000000000400000000000000000000000</structure-fingerprint> 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