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Substance Name: s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-iodophenyl)-
RN: 68869-51-2
InChIKey: AGLPBFNEXCXWBE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H16-I-N3-O-S

Molecular Weight

  • 485.3434
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 68869-51-2

System Generated Number

  • 0068869512

Structure Descriptors

InChI

1S/C21H16IN3OS/c22-17-8-10-18(11-9-17)25-20(23-24-21(25)27)14-26-19-12-6-16(7-13-19)15-4-2-1-3-5-15/h1-13H,14H2,(H,24,27)

InChIKey

AGLPBFNEXCXWBE-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2ccc(cc2)OCc3n[nH]c(=S)n3c4ccc(cc4)I

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.