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Substance Name: 2-Hepten-1-one, 3-((4-amino-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-
RN: 126335-02-2
InChIKey: RJNUFSZVSJUMSN-RAXLEYEMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-N4-O-S

Molecular Weight

  • 302.4002
 
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Names and Synonyms

Synonyms

  • 3-((4-Amino-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-2-hepten-1-one
  • BRN 4266040

Systematic Name

  • 2-Hepten-1-one, 3-((4-amino-4H-1,2,4-triazol-3-yl)thio)-1-phenyl-

Registry Numbers

CAS Registry Number

  • 126335-02-2

System Generated Number

  • 0126335022

Structure Descriptors

InChI

1S/C15H18N4OS/c1-2-3-9-13(21-15-18-17-11-19(15)16)10-14(20)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9,16H2,1H3/b13-10-

InChIKey

RJNUFSZVSJUMSN-RAXLEYEMSA-N

Smiles

CCCC/C(=C/C(=O)c1ccccc1)/Sc2nncn2N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 225mg/kg (225mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 911, 1989.