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Substance Name: Sefavirenz
RN: 279691-02-0
InChIKey: NXPNKDIOEZCGGV-ZDUSSCGKSA-N

Molecular Formula

  • C14-H9-Cl-F3-N-O-S

Molecular Weight

  • 331.7441
 
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Names and Synonyms

Name of Substance

  • Sefavirenz

Systematic Name

  • (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazine-2-thione

Registry Numbers

CAS Registry Number

  • 279691-02-0

System Generated Number

  • 0279691020

Structure Descriptors

InChI

1S/C14H9ClF3NOS/c15-9-3-4-11-10(7-9)13(14(16,17)18,20-12(21)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,21)/t13-/m0/s1

InChIKey

NXPNKDIOEZCGGV-ZDUSSCGKSA-N

Smiles

c1cc(cc2c1NC(=S)O[C@@]2([C@](F)(F)F)C#CC1CC1)Cl