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Substance Name: Phenol, 2-(4-(4-bromophenyl)-5-(ethylthio)-4H-1,2,4-triazol-3-yl)-
RN: 81518-39-0
InChIKey: AMTBLOWTYLLJEA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H14-Br-N3-O-S

Molecular Weight

  • 376.2766
 
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Names and Synonyms

Synonyms

  • 2-(4-(4-Bromophenyl)-5-(ethylthio)-4H-1,2,4-triazol-3-yl)phenol
  • BRN 5111155

Systematic Name

  • Phenol, 2-(4-(4-bromophenyl)-5-(ethylthio)-4H-1,2,4-triazol-3-yl)-

Registry Numbers

CAS Registry Number

  • 81518-39-0

System Generated Number

  • 0081518390

Structure Descriptors

InChI

1S/C16H14BrN3OS/c1-2-22-16-19-18-15(13-5-3-4-6-14(13)21)20(16)12-9-7-11(17)8-10-12/h3-10,21H,2H2,1H3

InChIKey

AMTBLOWTYLLJEA-UHFFFAOYSA-N

Smiles

CCSc1nnc(n1c2ccc(cc2)Br)c3ccccc3O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 20, Pg. 1017, 1981.