312134 <common-name>3-[(3-fluorophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine</common-name> <description>3-[(3-fluorophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine is a chemical compound with the formula C18H19FN4O3S. It has an average molecular weight of 390.40 g/mol.</description> <cas>578747-81-6</cas> <pubchem-id>3797824</pubchem-id> <chemical-formula>C18H19FN4O3S</chemical-formula> <weight>390.4</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">2026-08-29T08:27:40Z</created-at> <updated-at type="dateTime">2026-08-29T08:27:40Z</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=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SCC3=CC(=CC=C3)F</moldb-smiles> <moldb-formula>C18H19FN4O3S</moldb-formula> <moldb-inchi>InChI=1S/C18H19FN4O3S/c1-24-14-8-12(9-15(25-2)16(14)26-3)17-21-22-18(23(17)20)27-10-11-5-4-6-13(19)7-11/h4-9H,10,20H2,1-3H3</moldb-inchi> <moldb-inchikey>MCBISCHWRKAALU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">390.1161898</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</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>CHEM308027</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-fluorophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-amine</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>CED0263074</sync-id> <structure-inchikey>MCBISCHWRKAALU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000800000000000000000000000000024000404000002000000000000404100000002000000000000000000001000000000000000000000000000000000000000000000000000000000110000080000010002000000000000000000044000000100000000000000100000000000000000000000009000040200000800000000000000000881000000000000000000000000000100000000000100000000000080000000000000000400000000100000800000080000000000000010000000000000000020000000000002000000220200000000000000000000000000040000800000000800000000060000000000000000000</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�B������������ ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:19:08Z</structure-indexed-at> </compound>