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Substance Name: PR 969566
RN: 113944-05-1
InChIKey: CZCOAEUOUOJROA-IRLDBZIGSA-N

Molecular Formula

  • C22-H24-Cl-N3-O-S

Molecular Weight

  • 413.9706
 
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Names and Synonyms

Name of Substance

  • PR 969566

Synonyms

  • 3-(4-Chlorophenyl)-3-((1H-imidazol-1-yl)methyl)-2-methyl-5-(((4-methylphenyl)thio)methyl)isoxazolidine
  • PR 969-566

Systematic Name

  • Isoxazolidine, 3-(4-chlorophenyl)-3-(H-imidazol-1-ylmethyl)-2-methyl-5-(((4-methylphenyl)thio)methyl)-, cis-

Registry Numbers

CAS Registry Number

  • 113944-05-1

System Generated Number

  • 0113944051

Structure Descriptors

InChI

1S/C22H24ClN3OS/c1-17-3-9-21(10-4-17)28-14-20-13-22(25(2)27-20,15-26-12-11-24-16-26)18-5-7-19(23)8-6-18/h3-12,16,20H,13-15H2,1-2H3/t20-,22+/m1/s1

InChIKey

CZCOAEUOUOJROA-IRLDBZIGSA-N

Smiles

Cc1ccc(cc1)SC[C@H]2C[C@](N(O2)C)(Cn3ccnc3)c4ccc(cc4)Cl