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Substance Name: 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)-
RN: 57295-56-4
InChIKey: MCLIGBRGMPZLAW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H10-Cl-N3-S

Molecular Weight

  • 239.729
 
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Names and Synonyms

Synonyms

  • 3-(4-Chlorophenyl)-1-methyl-5-(methylthio)-1H-1,2,4-triazole
  • 5-26-03-00278 (Beilstein Handbook Reference)
  • BRN 0649361

Systematic Name

  • 1H-1,2,4-Triazole, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)-

Registry Numbers

CAS Registry Number

  • 57295-56-4

System Generated Number

  • 0057295564

Structure Descriptors

InChI

1S/C10H10ClN3S/c1-14-10(15-2)12-9(13-14)7-3-5-8(11)6-4-7/h3-6H,1-2H3

InChIKey

MCLIGBRGMPZLAW-UHFFFAOYSA-N

Smiles

Cn1c(nc(n1)c2ccc(cc2)Cl)SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 37, Pg. 125, 1994.