3-[[(2R)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[(2R)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanylmethyl]benzonitrile CAS Name: 3-[[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]methyl]benzonitrile IUPAC Name: 3-[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanylmethyl]benzonitrile Traditional Name: 3-[[[(2R)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]methyl]benzonitrile Formula: C23H18FNO2S MolecularWeight: 391.457923

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSCC4=CC=CC(=C4)C#N)F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@@H](O1)C3=CC=CC=C3)CSCC4=CC=CC(=C4)C#N)F

InChI

InChI=1S/C23H18FNO2S/c24-21-10-19-13-26-23(18-7-2-1-3-8-18)27-22(19)20(11-21)15-28-14-17-6-4-5-16(9-17)12-25/h1-11,23H,13-15H2/t23-/m1/s1