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Substance Name: 3-Pyridinecarbonitrile, 1,2-dihydro-4-(4-chlorophenyl)-6-phenyl-2-thioxo-
RN: 78564-16-6
InChIKey: FKCCQSNAFVJBSN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H11-Cl-N2-S

Molecular Weight

  • 322.8179
 
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Names and Synonyms

Synonyms

  • 1,2-Dihydro-4-(4-chlorophenyl)-6-phenyl-2-thioxo-3-pyridinecarbonitrile
  • BRN 3558946
  • Nicotinonitrile, 1,2-dihydro-4-(p-chlorophenyl)-4-phenyl-2-thioxo-

Systematic Name

  • 3-Pyridinecarbonitrile, 1,2-dihydro-4-(4-chlorophenyl)-6-phenyl-2-thioxo-

Registry Numbers

CAS Registry Number

  • 78564-16-6

System Generated Number

  • 0078564166

Structure Descriptors

InChI

1S/C18H11ClN2S/c19-14-8-6-12(7-9-14)15-10-17(13-4-2-1-3-5-13)21-18(22)16(15)11-20/h1-10H,(H,21,22)

InChIKey

FKCCQSNAFVJBSN-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2cc(c(c(=S)[nH]2)C#N)c3ccc(cc3)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 100mg/kg (100mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION Pharmaceutical Chemistry Journal Vol. 19, Pg. 313, 1985.