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Substance Name: s-Triazole-2-thiol, 5-(4-biphenylyloxymethyl)-1-phenyl-
RN: 68869-43-2
InChIKey: YMTCAUNMUYRNKD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H17-N3-O-S

Molecular Weight

  • 359.4513
 
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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-phenyl-
  • 5-(4-Biphenoxymethyl)-1-phenyl-1H-1,2,4-triazole-2-thiol

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 68869-43-2

System Generated Number

  • 0068869432

Structure Descriptors

InChI

1S/C21H17N3OS/c26-21-23-22-20(24(21)18-9-5-2-6-10-18)15-25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h1-14H,15H2,(H,23,26)

InChIKey

YMTCAUNMUYRNKD-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2ccc(cc2)OCc3n[nH]c(=S)n3c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Proceedings of the Western Pharmacology Society. Vol. 21, Pg. 223, 1978.