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Substance Name: 1H-1,2,4-Triazole-3-thiol, 5-(4-quinolyl)-
RN: 3770-46-5
InChIKey: OXHJNEQUQRCQLW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H8-N4-S

Molecular Weight

  • 228.278
 
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Names and Synonyms

Synonyms

  • 5-(4-Quinolyl)-1H-1,2,4-triazole-3-thiol
  • Quinoline, 4-(3-mercapto-1H-1,2,4-triazol-5-yl)-

Systematic Name

  • 1H-1,2,4-Triazole-3-thiol, 5-(4-quinolyl)-

Registry Numbers

CAS Registry Number

  • 3770-46-5

System Generated Number

  • 0003770465

Structure Descriptors

InChI

1S/C11H8N4S/c16-11-13-10(14-15-11)8-5-6-12-9-4-2-1-3-7(8)9/h1-6H,(H2,13,14,15,16)

InChIKey

OXHJNEQUQRCQLW-UHFFFAOYSA-N

Smiles

[nH]1nc(nc1c1ccnc2ccccc12)S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD05 intraperitoneal 560mg/kg (560mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 42, 1966.