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Substance Name: s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-(2,4-dimethylphenyl)-
RN: 68869-54-5
InChIKey: BDJUSHWQEUAFNE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H21-N3-O-S

Molecular Weight

  • 387.5049
 
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Names and Synonyms

Synonyms

  • 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,1'-biphenyl-4-yloxymethyl)-4-(2,4-xylyl)-
  • 5-(4-Biphenoxymethyl)-1-(2,4-dimethyl)phenyl-1H-1,2,4-triazole-2-thiol

Systematic Name

  • s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-(2,4-dimethylphenyl)-

Registry Numbers

CAS Registry Number

  • 68869-54-5

System Generated Number

  • 0068869545

Structure Descriptors

InChI

1S/C23H21N3OS/c1-16-8-13-21(17(2)14-16)26-22(24-25-23(26)28)15-27-20-11-9-19(10-12-20)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,28)

InChIKey

BDJUSHWQEUAFNE-UHFFFAOYSA-N

Smiles

Cc1ccc(c(c1)C)n2c(n[nH]c2=S)COc3ccc(cc3)c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Proceedings of the Western Pharmacology Society. Vol. 21, Pg. 223, 1978.