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Substance Name: 1,3-Propanedione, 1-(3-((1,1-dioxido-2-isothiazolidinyl)methyl)-5-(phenylmethyl)phenyl)-3-(4-methyl-2-pyridinyl)-
RN: 317333-47-4
InChIKey: YMOIOKWCVVIHMV-UHFFFAOYSA-N

Molecular Formula

  • C26-H26-N2-O4-S

Molecular Weight

  • 462.5674
 
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Names and Synonyms

Synonym

  • 1,3-Diketone B

Systematic Name

  • 1,3-Propanedione, 1-(3-((1,1-dioxido-2-isothiazolidinyl)methyl)-5-(phenylmethyl)phenyl)-3-(4-methyl-2-pyridinyl)-

Registry Numbers

CAS Registry Number

  • 317333-47-4

System Generated Number

  • 0317333474

Structure Descriptors

InChI

1S/C26H26N2O4S/c1-19-8-9-27-24(12-19)26(30)17-25(29)23-15-21(13-20-6-3-2-4-7-20)14-22(16-23)18-28-10-5-11-33(28,31)32/h2-4,6-9,12,14-16H,5,10-11,13,17-18H2,1H3

InChIKey

YMOIOKWCVVIHMV-UHFFFAOYSA-N

Smiles

Cc1ccnc(c1)C(=O)CC(=O)c2cc(cc(c2)CN3CCCS3(=O)=O)Cc4ccccc4