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Substance Name: 1H-1,2,4-Triazole-1-carbothioamide, 5-amino-3-(4-chlorophenyl)-N-methyl-
RN: 168893-29-6
InChIKey: PWDDJOGPFSDPEK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H10-Cl-N5-S

Molecular Weight

  • 267.743
 
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Names and Synonyms

Synonym

  • 5-Amino-3-(4-chlorophenyl)-N-methyl-1H-1,2,4-triazole-1-carbothioamide

Systematic Name

  • 1H-1,2,4-Triazole-1-carbothioamide, 5-amino-3-(4-chlorophenyl)-N-methyl-

Registry Numbers

CAS Registry Number

  • 168893-29-6

System Generated Number

  • 0168893296

Structure Descriptors

InChI

1S/C10H10ClN5S/c1-13-10(17)16-9(12)14-8(15-16)6-2-4-7(11)5-3-6/h2-5H,1H3,(H,13,17)(H2,12,14,15)

InChIKey

PWDDJOGPFSDPEK-UHFFFAOYSA-N

Smiles

CNC(=S)n1c(nc(n1)c2ccc(cc2)Cl)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported > 2gm/kg (2000mg/kg)   Journal of Medicinal Chemistry. Vol. 39, Pg. 3019, 1996.