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Substance Name: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((4-methoxyphenoxy)methyl)-4-(4-methylphenyl)-
RN: 107951-98-4
InChIKey: GEGCDORLSBRJGG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-N3-O2-S

Molecular Weight

  • 327.4063
 
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Names and Synonyms

Synonyms

  • 2,4-Dihydro-5-((4-methoxyphenoxy)methyl)-4-(4-methylphenyl)-3H-1,2,4-triazole-3-thione
  • BRN 5111083

Systematic Name

  • 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((4-methoxyphenoxy)methyl)-4-(4-methylphenyl)-

Registry Numbers

CAS Registry Number

  • 107951-98-4

System Generated Number

  • 0107951984

Structure Descriptors

InChI

1S/C17H17N3O2S/c1-12-3-5-13(6-4-12)20-16(18-19-17(20)23)11-22-15-9-7-14(21-2)8-10-15/h3-10H,11H2,1-2H3,(H,19,23)

InChIKey

GEGCDORLSBRJGG-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)n2c(n[nH]c2=S)COc3ccc(cc3)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 26, Pg. 251, 1987.