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Substance Name: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((2-methoxyphenoxy)methyl)-4-phenyl-
RN: 107952-04-5
InChIKey: BPKUFMCJXLYRFM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H15-N3-O2-S

Molecular Weight

  • 313.3795
 
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Names and Synonyms

Synonyms

  • 2,4-Dihydro-5-((2-methoxyphenoxy)methyl)-4-phenyl-3H-1,2,4-triazole-3-thione
  • BRN 5103128

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 107952-04-5

System Generated Number

  • 0107952045

Structure Descriptors

InChI

1S/C16H15N3O2S/c1-20-13-9-5-6-10-14(13)21-11-15-17-18-16(22)19(15)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,22)

InChIKey

BPKUFMCJXLYRFM-UHFFFAOYSA-N

Smiles

COc1ccccc1OCc2n[nH]c(=S)n2c3ccccc3

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.