4-[[4-[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenyl]sulfanylphenyl]methyl]benzonitrile CAS Name: 4-[[4-[[3-fluoro-5-(4-methoxy-4-oxanyl)phenyl]thio]phenyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-fluoro-5-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]methyl]benzonitrile Traditional Name: 4-[4-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenyl]thio]benzyl]benzonitrile Formula: C26H24FNO2S MolecularWeight: 433.537663

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCOCC1)C2=CC(=CC(=C2)SC3=CC=C(C=C3)CC4=CC=C(C=C4)C#N)F

Isomeric SMILES

COC1(CCOCC1)C2=CC(=CC(=C2)SC3=CC=C(C=C3)CC4=CC=C(C=C4)C#N)F

InChI

InChI=1S/C26H24FNO2S/c1-29-26(10-12-30-13-11-26)22-15-23(27)17-25(16-22)31-24-8-6-20(7-9-24)14-19-2-4-21(18-28)5-3-19/h2-9,15-17H,10-14H2,1H3