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Substance Name: DUP-860
RN: 147821-45-2
UNII: F8D1FG2B09
InChIKey: YGEWFSCDLQLUFV-UHFFFAOYSA-N

Molecular Formula

  • C18-H15-Cl2-N3-O.C-H4-O3-S

Molecular Weight

  • 456.3429
 
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Names and Synonyms

Name of Substance

  • DUP-860

Synonyms

  • 1H-1,2,4-Triazole-1-ethanol, alpha-(4-chlorophenyl)-alpha-(1-(2-chlorophenyl)ethenyl)-, methanesulfonate (1:1)
  • DUP-860
  • UNII-F8D1FG2B09

Registry Numbers

CAS Registry Number

  • 147821-45-2

FDA UNII

  • F8D1FG2B09

System Generated Number

  • 0147821452

Structure Descriptors

InChI

1S/C18H15Cl2N3O.CH4O3S/c1-13(16-4-2-3-5-17(16)20)18(24,10-23-12-21-11-22-23)14-6-8-15(19)9-7-14;1-5(2,3)4/h2-9,11-12,24H,1,10H2;1H3,(H,2,3,4)

InChIKey

YGEWFSCDLQLUFV-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.OC(Cn1cncn1)(C(=C)c2ccccc2Cl)c3ccc(Cl)cc3