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Substance Name: s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-ethoxyphenyl)-
RN: 68869-53-4
InChIKey: XZLLLTXLIXILGW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H21-N3-O2-S

Molecular Weight

  • 403.5039
 
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Names and Synonyms

Synonyms

  • 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((1,1'-biphenyl-4-yloxy)methyl)-4-(4-ethoxyphenyl)-
  • 5-(4-Biphenoxymethyl)-1-(p-ethoxyphenyl)-1H-1,2,4-triazole-2-thiol

Systematic Name

  • s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-ethoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 68869-53-4

System Generated Number

  • 0068869534

Structure Descriptors

InChI

1S/C23H21N3O2S/c1-2-27-20-14-10-19(11-15-20)26-22(24-25-23(26)29)16-28-21-12-8-18(9-13-21)17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,25,29)

InChIKey

XZLLLTXLIXILGW-UHFFFAOYSA-N

Smiles

CCOc1ccc(cc1)n2c(n[nH]c2=S)COc3ccc(cc3)c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Proceedings of the Western Pharmacology Society. Vol. 21, Pg. 223, 1978.