325895 <common-name>3-(3-ethoxyphenyl)-4-[(e)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1h-1,2,4-triazole-5-thione</common-name> <description>3-(3-ethoxyphenyl)-4-[(e)-(2-hydroxynaphthalen-1-yl)methylideneamino]-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>613249-71-1</cas> <pubchem-id>135651129</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">2026-08-30T03:53:09Z</created-at> <updated-at type="dateTime">2026-08-30T03:53:09Z</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>CCOC1=CC=CC(=C1)C2=NNC(=S)N2N=CC3=C(C=CC4=CC=CC=C43)O</moldb-smiles> <moldb-formula>C21H18N4O2S</moldb-formula> <moldb-inchi>InChI=1S/C21H18N4O2S/c1-2-27-16-8-5-7-15(12-16)20-23-24-21(28)25(20)22-13-18-17-9-4-3-6-14(17)10-11-19(18)26/h3-13,26H,2H2,1H3,(H,24,28)/b22-13+</moldb-inchi> <moldb-inchikey>JUXDGADARMMZHR-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>CHEM321788</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>3-(3-ethoxyphenyl)-4-[(e)-(2-hydroxynaphthalen-1-yl)methylideneamino]-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>Benzenoids</superklass> <klass>Naphthalenes</klass> <subklass>Naphthols and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0276520</sync-id> <structure-inchikey>JUXDGADARMMZHR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000420800040000000000000000000000000100200000400000000000002000000208000220000002000000000000000000000000000000000000000008000200000000000000000000000000008000300000004008000000000000000110000010000000080100000000000000900000000000000000000000001000140000001800080200000000000800000000100000000020000000000000000000200000000440000080000000000000000080000100000040000000000000000040000002100000000000000000000000000042000000200000040000060000000000001000040000000000000000000000000000000080000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������(������@(������@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��� ��h�� h���h���h�B������������ ���������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:29:43Z</structure-indexed-at> </compound>