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Substance Name: 3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4-(4-nitrophenyl)-6-phenyl-2-thioxo-
RN: 89451-31-0
InChIKey: VDKGNRHJARTAOE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H13-N3-O2-S

Molecular Weight

  • 335.3857
 
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Names and Synonyms

Synonyms

  • 1,2,3,4-Tetrahydro-4-(4-nitrophenyl)-6-phenyl-2-thioxo-3-pyridinecarbonitrile
  • BRN 4712574

Systematic Name

  • 3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4-(4-nitrophenyl)-6-phenyl-2-thioxo-

Registry Numbers

CAS Registry Number

  • 89451-31-0

System Generated Number

  • 0089451310

Structure Descriptors

InChI

1S/C18H13N3O2S/c19-11-16-15(12-6-8-14(9-7-12)21(22)23)10-17(20-18(16)24)13-4-2-1-3-5-13/h1-10,15-16H,(H,20,24)

InChIKey

VDKGNRHJARTAOE-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2=CC(C(C(=S)N2)C#N)c3ccc(cc3)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal > 5gm/kg (5000mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 313, 1985.