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Substance Name: Phenol, 2-(4-(2-methylphenyl)-5-(2-propenylthio)-4H-1,2,4-triazol-3-yl)-
RN: 81518-45-8
InChIKey: UTZVKEOFKXACHC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-N3-O-S

Molecular Weight

  • 323.4183
 
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Names and Synonyms

Synonyms

  • 2-(4-(2-Methylphenyl)-5-(2-propenylthio)-4H-1,2,4-triazol-3-yl)phenol
  • BRN 5107291

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 81518-45-8

System Generated Number

  • 0081518458

Structure Descriptors

InChI

1S/C18H17N3OS/c1-3-12-23-18-20-19-17(14-9-5-7-11-16(14)22)21(18)15-10-6-4-8-13(15)2/h3-11,22H,1,12H2,2H3

InChIKey

UTZVKEOFKXACHC-UHFFFAOYSA-N

Smiles

Cc1ccccc1n2c(nnc2SCC=C)c3ccccc3O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 800mg/kg (800mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 20, Pg. 1017, 1981.