316671 <common-name>4-[4-(dimethylamino)phenyl]-2-methylsulfanyl-5-oxo-4-pyridin-3-yl-1h-pyrrole-3-carbonitrile</common-name> <description>4-[4-(dimethylamino)phenyl]-2-methylsulfanyl-5-oxo-4-pyridin-3-yl-1h-pyrrole-3-carbonitrile is a chemical compound with the formula C19H18N4OS. It has an average molecular weight of 350.40 g/mol.</description> <cas>88709-72-2</cas> <pubchem-id>13236202</pubchem-id> <chemical-formula>C19H18N4OS</chemical-formula> <weight>350.4</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">2026-08-29T14:28:43Z</created-at> <updated-at type="dateTime">2026-08-29T14:28:43Z</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>CN(C)C1=CC=C(C=C1)C2(C(=C(NC2=O)SC)C#N)C3=CN=CC=C3</moldb-smiles> <moldb-formula>C19H18N4OS</moldb-formula> <moldb-inchi>InChI=1S/C19H18N4OS/c1-23(2)15-8-6-13(7-9-15)19(14-5-4-10-21-12-14)16(11-20)17(25-3)22-18(19)24/h4-10,12H,1-3H3,(H,22,24)</moldb-inchi> <moldb-inchikey>FMPKVQVDCOMGHS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">350.1201324</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>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>CHEM312564</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-[4-(dimethylamino)phenyl]-2-methylsulfanyl-5-oxo-4-pyridin-3-yl-1h-pyrrole-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>Pyrrolines</klass> <subklass>Phenylpyrrolines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0267505</sync-id> <structure-inchikey>FMPKVQVDCOMGHS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000800100000000000000000000000000021000000000000002000200000000004000000000008000000000000000008000000000000000000000020000c20000000004000004000000008000200000000000000000000004000000000000000000080000000000000020000100048000000808000200000800000100400000000000000000000000000000020000000000000000000988000000000000000000000000080000000000100000000000020001000000000000000020000000800001000000200000000000000000000000000002040000000000000000000000000000000000000000000</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�B������������ �������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:22:42Z</structure-indexed-at> </compound>