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Substance Name: 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfinyl)-
RN: 116850-68-1
InChIKey: HIKKEGKGIDBBOI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H13-N3-O2-S

Molecular Weight

  • 251.3087
 
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Names and Synonyms

Synonyms

  • 3-(4-Methoxyphenyl)-4-methyl-5-(methylsulfinyl)-4H-1,2,4-triazole
  • 5-(4-Methoxyphenyl)-4-methyl-3-(methylsulfinyl)-4H-1,2,4-triazole

Systematic Name

  • 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfinyl)-

Registry Numbers

CAS Registry Number

  • 116850-68-1

System Generated Number

  • 0116850681

Structure Descriptors

InChI

1S/C11H13N3O2S/c1-14-10(12-13-11(14)17(3)15)8-4-6-9(16-2)7-5-8/h4-7H,1-3H3

InChIKey

HIKKEGKGIDBBOI-UHFFFAOYSA-N

Smiles

Cn1c(nnc1S(=O)C)c2ccc(cc2)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 37, Pg. 125, 1994.