320923 <common-name>2-[n-(2-cyanoethyl)-4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl acetate</common-name> <description>2-[n-(2-cyanoethyl)-4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl acetate is a compound with the formula C20H17Cl2N5O2S. It has an average molecular weight of 462.40 g/mol.</description> <cas>33979-43-0</cas> <pubchem-id>118584</pubchem-id> <chemical-formula>C20H17Cl2N5O2S</chemical-formula> <weight>462.4</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">2026-08-29T20:05:25Z</created-at> <updated-at type="dateTime">2026-08-29T20:05:25Z</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>CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=CC(=C(C=C3S2)Cl)Cl</moldb-smiles> <moldb-formula>C20H17Cl2N5O2S</moldb-formula> <moldb-inchi>InChI=1S/C20H17Cl2N5O2S/c1-13(28)29-10-9-27(8-2-7-23)15-5-3-14(4-6-15)25-26-20-24-18-11-16(21)17(22)12-19(18)30-20/h3-6,11-12H,2,8-10H2,1H3</moldb-inchi> <moldb-inchikey>QRXUCDVMWAKUQV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">461.0480014</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>CHEM316816</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>2-[n-(2-cyanoethyl)-4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl acetate</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>Benzothiazoles</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0271650</sync-id> <structure-inchikey>QRXUCDVMWAKUQV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000080400000000000001000200000000020000000200800000200000000008000000000000200200000000400000000000000000000000000000000000040200000002000000400002000003008010000000400000000000000020001000000000200000010440000000000100000008010000000000040001000004000040040d0000000000000000000000000000000000000000000000000000000000000000000000880000000000000000000000000000000000000000020000001000000000000000000000c0091000000001000000200000000000000000000000003000040010000000400000801000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAeAAAAIAAAAIABBgBgAAAAAQMGACgAAAAD BAgAKAAAAAMCCAAoAAAAAwIGAGAAAAACAgYAYAAAAAICBwAoAAAAAwMGAGAA AAACAgYAYAAAAAICBgAoAAAAAgQHACgAAAACAwZAKAAAAAMEBkBoAAAAAwMB BkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEHACgAAAADAwcA KAAAAAMDBkAoAAAAAwQHQCgAAAADAwZAKAAAAAMEBkBoAAAAAwMBBkAoAAAA AwQGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEEEAoAAAAAwIRACAAAAABEQAg AAAAAQsAAQABAigCAQMgAwQABAUABQYABgcABwgACAkACQoIAwYLIAsMaAwM DWgMDQ5oDA4PaAwPEGgMDhEgERIoAhITIBMUaAwUFWgMFRZoDBYXaAwXGGgM GBloDBkaaAwaG2gMGBwAFx0AEAtoDBsTaAwaFWgMQgMAAAAGCxAPDg0MBRQT GxoVBhYXGBkaFRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:25:56Z</structure-indexed-at> </compound>