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Substance Name: 3-Pyridinecarbonitrile, 1,2-dihydro-4-(2-(difluoromethoxy)phenyl)-6-phenyl-2-thioxo-
RN: 78578-72-0
InChIKey: XILRKAOXCKEMES-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H12-F2-N2-O-S

Molecular Weight

  • 354.3788
 
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Names and Synonyms

Synonyms

  • 1,2-Dihydro-4-(2-(difluoromethoxy)phenyl)-6-phenyl-2-thioxo-3-pyridinecarbonitrile
  • BRN 4717644

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78578-72-0

System Generated Number

  • 0078578720

Structure Descriptors

InChI

1S/C19H12F2N2OS/c20-19(21)24-17-9-5-4-8-13(17)14-10-16(12-6-2-1-3-7-12)23-18(25)15(14)11-22/h1-10,19H,(H,23,25)

InChIKey

XILRKAOXCKEMES-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2cc(c(c(=S)[nH]2)C#N)c3ccccc3OC(F)F

Toxicity

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