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Substance Name: 3-Pyridinecarbonitrile, 1,2-dihydro-4-(3-nitrophenyl)-6-phenyl-2-thioxo-
RN: 89451-45-6
InChIKey: NGDBCOPITJYIGP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H11-N3-O2-S

Molecular Weight

  • 333.3699
 
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Names and Synonyms

Synonyms

  • 1,2-Dihydro-4-(3-nitrophenyl)-6-phenyl-2-thioxo-3-pyridinecarbonitrile
  • 3-Cyano-4-(m-nitrophenyl)-6-phenylpyridine-2-thione
  • BRN 4539875

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 89451-45-6

System Generated Number

  • 0089451456

Structure Descriptors

InChI

1S/C18H11N3O2S/c19-11-16-15(13-7-4-8-14(9-13)21(22)23)10-17(20-18(16)24)12-5-2-1-3-6-12/h1-10H,(H,20,24)

InChIKey

NGDBCOPITJYIGP-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2cc(c(c(=S)[nH]2)C#N)c3cccc(c3)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 1gm/kg (1000mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION Pharmaceutical Chemistry Journal Vol. 19, Pg. 313, 1985.