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Substance Name: Phenol, 2-(4-(4-bromophenyl)-5-(2-propenylthio)-4H-1,2,4-triazol-3-yl)-
RN: 81518-40-3
InChIKey: GJGOSEJQZBGITA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H14-Br-N3-O-S

Molecular Weight

  • 388.2876
 
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Names and Synonyms

Synonyms

  • 2-(4-(4-Bromophenyl)-5-(2-propenylthio)-4H-1,2,4-triazol-3-yl)phenol
  • BRN 5116512

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 81518-40-3

System Generated Number

  • 0081518403

Structure Descriptors

InChI

1S/C17H14BrN3OS/c1-2-11-23-17-20-19-16(14-5-3-4-6-15(14)22)21(17)13-9-7-12(18)8-10-13/h2-10,22H,1,11H2

InChIKey

GJGOSEJQZBGITA-UHFFFAOYSA-N

Smiles

C=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.