2-[(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3-benzoxazole

Systemtic Name: 2-[(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3-benzoxazole Openeye Name: 2-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3-benzoxazole CAS Name: 2-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-1,3-benzoxazole IUPAC Name: 2-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3-benzoxazole Traditional Name: 2-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-1,3-benzoxazole Formula: C22H16FNO3S MolecularWeight: 393.430743

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC4=NC5=CC=CC=C5O4)F

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC4=NC5=CC=CC=C5O4)F

InChI

InChI=1S/C22H16FNO3S/c23-17-10-15-12-25-21(14-6-2-1-3-7-14)27-20(15)16(11-17)13-28-22-24-18-8-4-5-9-19(18)26-22/h1-11,21H,12-13H2