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Substance Name: s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-(o-tolyl)-
RN: 68869-44-3
InChIKey: IEJWHJMHMBJJBJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H19-N3-O-S

Molecular Weight

  • 373.4781
 
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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-(2-methylphenyl)-
  • 5-(4-Biphenoxymethyl)-1-(2-methylphenyl)-1H-1,2,4-triazole-2-thiol
  • 5-(4-Biphenylyloxymethyl)-1-(o-tolyl)-s-triazole-2-thiol

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 68869-44-3

System Generated Number

  • 0068869443

Structure Descriptors

InChI

1S/C22H19N3OS/c1-16-7-5-6-10-20(16)25-21(23-24-22(25)27)15-26-19-13-11-18(12-14-19)17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,24,27)

InChIKey

IEJWHJMHMBJJBJ-UHFFFAOYSA-N

Smiles

Cc1ccccc1n2c(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.