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Substance Name: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-methoxyphenyl)-
RN: 110623-39-7
InChIKey: LXDZLMUSBZHNHI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H13-N3-O-S

Molecular Weight

  • 235.3097
 
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Names and Synonyms

Synonyms

  • 2,4-Dihydro-2,4-dimethyl-5-(4-methoxyphenyl)-3H-1,2,4-triazole-3-thione
  • BRN 6727092

Systematic Name

  • 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-5-(4-methoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 110623-39-7

System Generated Number

  • 0110623397

Structure Descriptors

InChI

1S/C11H13N3OS/c1-13-10(12-14(2)11(13)16)8-4-6-9(15-3)7-5-8/h4-7H,1-3H3

InChIKey

LXDZLMUSBZHNHI-UHFFFAOYSA-N

Smiles

Cn1c(nn(c1=S)C)c2ccc(cc2)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 31, Pg. 1253, 1988.