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Substance Name: 2-Butene-1,4-dione, 1,4-diphenyl-2-((4,5-diphenyl-1H-imidazol-2-yl)thio)-
RN: 145030-91-7
InChIKey: SVJJYWARJHATDN-SZXQPVLSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H22-N2-O2-S

Molecular Weight

  • 486.5928
 
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Names and Synonyms

Synonyms

  • 1,4-Diphenyl-2-((4,5-diphenyl-1H-imidazol-2-yl)thio)-2-butene-1,4-dione
  • 2-(1,2-Dibenzoylvinyl)thio-4,5-diphenylimidazole

Systematic Name

  • 2-Butene-1,4-dione, 1,4-diphenyl-2-((4,5-diphenyl-1H-imidazol-2-yl)thio)-

Registry Numbers

CAS Registry Number

  • 145030-91-7

System Generated Number

  • 0145030917

Structure Descriptors

InChI

1S/C31H22N2O2S/c34-26(22-13-5-1-6-14-22)21-27(30(35)25-19-11-4-12-20-25)36-31-32-28(23-15-7-2-8-16-23)29(33-31)24-17-9-3-10-18-24/h1-21H,(H,32,33)/b27-21+

InChIKey

SVJJYWARJHATDN-SZXQPVLSSA-N

Smiles

c1ccc(cc1)c2c(nc([nH]2)S/C(=C/C(=O)c3ccccc3)/C(=O)c4ccccc4)c5ccccc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 4470mg/kg (4470mg/kg)   Pharmaceutical Chemistry Journal Vol. 26, Pg. 346, 1992.