334046 <common-name>8-chloro-6-(2-chlorophenyl)-1-(phenylsulfanylmethyl)-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine</common-name> <description>8-chloro-6-(2-chlorophenyl)-1-(phenylsulfanylmethyl)-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine is a chemical compound with the formula C23H16Cl2N4S. It has an average molecular weight of 451.40 g/mol.</description> <cas>85677-81-2</cas> <pubchem-id>3070046</pubchem-id> <chemical-formula>C23H16Cl2N4S</chemical-formula> <weight>451.4</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">2026-08-30T15:37:52Z</created-at> <updated-at type="dateTime">2026-08-30T15:37:52Z</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>C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl)CSC5=CC=CC=C5</moldb-smiles> <moldb-formula>C23H16Cl2N4S</moldb-formula> <moldb-inchi>InChI=1S/C23H16Cl2N4S/c24-15-10-11-20-18(12-15)23(17-8-4-5-9-19(17)25)26-13-21-27-28-22(29(20)21)14-30-16-6-2-1-3-7-16/h1-12H,13-14H2</moldb-inchi> <moldb-inchikey>FCGASBQOWFUKKE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">450.0472731</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.1</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>CHEM329939</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>8-chloro-6-(2-chlorophenyl)-1-(phenylsulfanylmethyl)-4h-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine</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>Benzodiazepines</klass> <subklass>1,4-benzodiazepines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0284524</sync-id> <structure-inchikey>FCGASBQOWFUKKE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10000000000000800000000808010000000400000000000080000000000000000000000002020004008002002004000000040000000000000000000000000000000000400000000000000080000000000000000000000008000000002000000000001080000010000001104000000000020100000000020280100000000000000000000000800000004000000000080000000100000010000000000000000100000000000010080000080000000000010000000000000000000000000080000000000000000000000000000800000010000002000000000200000000400000000000000000000040000000001000000000000000000040000000000000</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���h���h���h���������������h���h���h���h���h������h���h���h���h�B���������� ��������� ���������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:36:00Z</structure-indexed-at> </compound>