Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Methanone, (2-(((4,5-dihydro-4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl)amino)-5-nitrophenyl)phenyl-
RN: 111070-79-2
InChIKey: MAPDIPUVFZFIHF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H17-N5-O3-S

Molecular Weight

  • 431.4743
 
* 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

Synonym

  • 2-((3-Mercapto-4-phenyl-1,2,4-triazol-5-yl)methylamino)-5-nitrobenzophenone

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 111070-79-2

System Generated Number

  • 0111070792

Structure Descriptors

InChI

1S/C22H17N5O3S/c28-21(15-7-3-1-4-8-15)18-13-17(27(29)30)11-12-19(18)23-14-20-24-25-22(31)26(20)16-9-5-2-6-10-16/h1-13,23H,14H2,(H,25,31)

InChIKey

MAPDIPUVFZFIHF-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(=O)c2cc(ccc2NCc3n[nH]c(=S)n3c4ccccc4)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 464mg/kg (464mg/kg)   Journal of the Indian Chemical Society. Vol. 64, Pg. 46, 1987.