<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">305907</id>
  <title nil="true"/>
  <common-name>N-(3,4-difluorophenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide</common-name>
  <description>N-(3,4-difluorophenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide belongs to the pyridyltriazoles, a subclass of pyridines and derivatives within the organic compounds. This organoheterocyclic compound has the formula C17H15F2N5OS and an average molecular weight of 375.40 g/mol.</description>
  <cas>618414-47-4</cas>
  <pubchem-id>3868515</pubchem-id>
  <chemical-formula>C17H15F2N5OS</chemical-formula>
  <weight>375.4</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">2026-08-28T23:36:19Z</created-at>
  <updated-at type="dateTime">2026-08-28T23:36:19Z</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>CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)F)C3=CC=CC=N3</moldb-smiles>
  <moldb-formula>C17H15F2N5OS</moldb-formula>
  <moldb-inchi>InChI=1S/C17H15F2N5OS/c1-2-24-16(14-5-3-4-8-20-14)22-23-17(24)26-10-15(25)21-11-6-7-12(18)13(19)9-11/h3-9H,2,10H2,1H3,(H,21,25)</moldb-inchi>
  <moldb-inchikey>GQNLUFWRDMVGIF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">375.0965376</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.3</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>CHEM301800</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>N-(3,4-difluorophenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide</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>Pyridines and derivatives</klass>
  <subklass>Pyridyltriazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0256983</sync-id>
  <structure-inchikey>GQNLUFWRDMVGIF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>204000000000800000000800000000000000008100000080000000000000000002004000000004000000002080000000000000008000000000000000000010000000000000000000000000000020000000000010000000000010000000000000210000000010200000100000040000000100000000000800000100000000000040000000800000000010000090080000000100000000000000000000000000000000000000000000080000000000000000490000000000002800000010000000000000000000000000000000000200000000002000000200000000000000008000008014002040000000000400800000010000004000000000000000</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��������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:14:36Z</structure-indexed-at>
</compound>
