5-[(E)-4,4-bis(fluoranyl)-3-oxidanyl-4-phenyl-but-1-enyl]-4-[6-(2H-1,2,3,4-tetrazol-5-yl)hexyl]thiomorpholin-3-one

Systemtic Name: 5-[(E)-4,4-bis(fluoranyl)-3-oxidanyl-4-phenyl-but-1-enyl]-4-[6-(2H-1,2,3,4-tetrazol-5-yl)hexyl]thiomorpholin-3-one Openeye Name: 5-[(E)-4,4-difluoro-3-hydroxy-4-phenyl-but-1-enyl]-4-[6-(2H-tetrazol-5-yl)hexyl]thiomorpholin-3-one CAS Name: 5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-4-[6-(2H-tetrazol-5-yl)hexyl]-3-thiomorpholinone IUPAC Name: 5-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-4-[6-(2H-tetrazol-5-yl)hexyl]thiomorpholin-3-one Traditional Name: 5-[(E)-4,4-difluoro-3-hydroxy-4-phenyl-but-1-enyl]-4-[6-(2H-tetrazol-5-yl)hexyl]thiomorpholin-3-one Formula: C21H27F2N5O2S MolecularWeight: 451.533186

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=O)CS1)CCCCCCC2=NNN=N2)C=CC(C(C3=CC=CC=C3)(F)F)O

Isomeric SMILES

C1C(N(C(=O)CS1)CCCCCCC2=NNN=N2)/C=C/C(C(C3=CC=CC=C3)(F)F)O

InChI

InChI=1S/C21H27F2N5O2S/c22-21(23,16-8-4-3-5-9-16)18(29)12-11-17-14-31-15-20(30)28(17)13-7-2-1-6-10-19-24-26-27-25-19/h3-5,8-9,11-12,17-18,29H,1-2,6-7,10,13-15H2,(H,24,25,26,27)/b12-11+