325896 <common-name>4-[(e)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-(2-methoxyphenyl)-1h-1,2,4-triazole-5-thione</common-name> <description>4-[(e)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-(2-methoxyphenyl)-1h-1,2,4-triazole-5-thione is a chemical compound with the formula C21H18N4O2S. It has an average molecular weight of 390.50 g/mol.</description> <cas>497920-36-2</cas> <pubchem-id>9633057</pubchem-id> <chemical-formula>C21H18N4O2S</chemical-formula> <weight>390.5</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">2026-08-30T03:53:13Z</created-at> <updated-at type="dateTime">2026-08-30T03:53:13Z</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>COC1=C(C2=CC=CC=C2C=C1)C=NN3C(=NNC3=S)C4=CC=CC=C4OC</moldb-smiles> <moldb-formula>C21H18N4O2S</moldb-formula> <moldb-inchi>InChI=1S/C21H18N4O2S/c1-26-18-10-6-5-9-16(18)20-23-24-21(28)25(20)22-13-17-15-8-4-3-7-14(15)11-12-19(17)27-2/h3-13H,1-2H3,(H,24,28)/b22-13+</moldb-inchi> <moldb-inchikey>MNLJNCKKSCPBDE-LPYMAVHISA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">390.115047</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.5</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>CHEM321789</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-[(e)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-(2-methoxyphenyl)-1h-1,2,4-triazole-5-thione</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>CED0276521</sync-id> <structure-inchikey>MNLJNCKKSCPBDE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000240000000000000000000000000100200000000400000000000000000008000228000002000000000000000000000000000000000008000008000000000000000000000100000000000000300820004000000000000000000100000010040000080000000000000000900000000000080000000000000000040000001800080200000000000000000000100000000000000000000000000000200000000440000080000002000000000000000000000008000000080000000040000000000000000000000000000000000042000000200000000000040000000000001000040000000000000000000000020000000080000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@(������@(������@h�������@h�������@h�������@h�������@(������@h�������@h��������h��������(������@(������@(������@(������@8�������@(�������(������@(������@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">2026-09-19T05:29:43Z</structure-indexed-at> </compound>