<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">310527</id>
  <title nil="true"/>
  <common-name>4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1h-pyridine-3-carbonitrile</common-name>
  <description>4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1h-pyridine-3-carbonitrile is a chemical compound with the formula C18H14N2S. It has an average molecular weight of 290.40 g/mol.</description>
  <cas>89451-29-6</cas>
  <pubchem-id>3021438</pubchem-id>
  <chemical-formula>C18H14N2S</chemical-formula>
  <weight>290.4</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">2026-08-29T05:53:52Z</created-at>
  <updated-at type="dateTime">2026-08-29T05:53:52Z</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>C1=CC=C(C=C1)C2C=C(NC(=S)C2C#N)C3=CC=CC=C3</moldb-smiles>
  <moldb-formula>C18H14N2S</moldb-formula>
  <moldb-inchi>InChI=1S/C18H14N2S/c19-12-16-15(13-7-3-1-4-8-13)11-17(20-18(16)21)14-9-5-2-6-10-14/h1-11,15-16H,(H,20,21)</moldb-inchi>
  <moldb-inchikey>PFTGVVPSSNIBAX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">290.0877696</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.6</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>CHEM306420</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>4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1h-pyridine-3-carbonitrile</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>Hydropyridines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0261501</sync-id>
  <structure-inchikey>PFTGVVPSSNIBAX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>1000000040000000040000000800000000000000000000000000000000000000000000000000000000000000004000000000000200000008000000000000000000000000000000000000000000000000020000000000000008000000000000200000000000000000000000000000002020000000000000000000000100000000008000000c00000200000000000800000000180100000000000000001000000000000000000000000088000000000000000000000000000000000000000000000100000200000200000000001000000000000040000000200000000200000000000000000000040000000000000000000000000000000000000000000</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���������(��	 	
 
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�������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:17:56Z</structure-indexed-at>
</compound>
