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Substance Name: Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)-
RN: 140406-06-0
InChIKey: DHWFSHGCLRANSA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H15-N3-O3-S

Molecular Weight

  • 353.4005
 
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Names and Synonyms

Synonyms

  • 2-((5-(1,3-Benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)ethanone
  • BRN 4883342

Systematic Name

  • Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-(4-methylphenyl)-

Registry Numbers

CAS Registry Number

  • 140406-06-0

System Generated Number

  • 0140406060

Structure Descriptors

InChI

1S/C18H15N3O3S/c1-11-2-4-12(5-3-11)14(22)9-25-18-19-17(20-21-18)13-6-7-15-16(8-13)24-10-23-15/h2-8H,9-10H2,1H3,(H,19,20,21)

InChIKey

DHWFSHGCLRANSA-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)C(=O)CSc2nc([nH]n2)c3ccc4c(c3)OCO4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1200mg/kg (1200mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 929, 1991.
mouse LD subcutaneous > 500mg/kg (500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 929, 1991.
rat LD oral > 1200mg/kg (1200mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 929, 1991.
rat LD subcutaneous > 500mg/kg (500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 929, 1991.