Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Methanone, (5-chloro-2-(((4,5-dihydro-4-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methyl)amino)phenyl)phenyl-
RN: 111070-78-1
InChIKey: KJINVGBULZLOEL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H21-Cl-N4-O2-S

Molecular Weight

  • 464.9749
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • Methanone, (5-chloro-2-(((4,5-dihydro-4-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl)methyl)amino)phenyl)phenyl-

Registry Numbers

CAS Registry Number

  • 111070-78-1

System Generated Number

  • 0111070781

Structure Descriptors

InChI

1S/C24H21ClN4O2S/c1-2-31-19-11-9-18(10-12-19)29-22(27-28-24(29)32)15-26-21-13-8-17(25)14-20(21)23(30)16-6-4-3-5-7-16/h3-14,26H,2,15H2,1H3,(H,28,32)

InChIKey

KJINVGBULZLOEL-UHFFFAOYSA-N

Smiles

CCOc1ccc(cc1)n2c(n[nH]c2=S)CNc3ccc(cc3C(=O)c4ccccc4)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Journal of the Indian Chemical Society. Vol. 64, Pg. 46, 1987.