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Substance Name: 2-Propen-1-one, 3-(2-(2-oxo-2-(2-thienyl)ethyl)-5-phenyl-1,3,4-thiadiazol-3(2H)-yl)-1-(2-thienyl)-
RN: 132334-17-9
InChIKey: IJZBICJUVSGOAZ-ZHACJKMWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H16-N2-O2-S3

Molecular Weight

  • 424.5674
 
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Names and Synonyms

Synonyms

  • 3-Thenoylvinyl-2-thenoylmethyl-5-phenyl-delta(sup 4)-1,3,4-thiadiazoline
  • BRN 3570937

Systematic Name

  • 2-Propen-1-one, 3-(2-(2-oxo-2-(2-thienyl)ethyl)-5-phenyl-1,3,4-thiadiazol-3(2H)-yl)-1-(2-thienyl)-

Registry Numbers

CAS Registry Number

  • 132334-17-9

System Generated Number

  • 0132334179

Structure Descriptors

InChI

1S/C21H16N2O2S3/c24-16(18-8-4-12-26-18)10-11-23-20(14-17(25)19-9-5-13-27-19)28-21(22-23)15-6-2-1-3-7-15/h1-13,20H,14H2/b11-10+

InChIKey

IJZBICJUVSGOAZ-ZHACJKMWSA-N

Smiles

c1ccc(cc1)C2=NN(C(S2)CC(=O)c3cccs3)/C=C/C(=O)c4cccs4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported > 2200mg/kg (2200mg/kg)   Pharmaceutical Chemistry Journal Vol. 24, Pg. 830, 1990.