4-[[4-[2-(3-fluorophenyl)-4-methoxy-oxan-3-yl]sulfanylphenyl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(3-fluorophenyl)-4-methoxy-oxan-3-yl]sulfanylphenyl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(3-fluorophenyl)-4-methoxy-tetrahydropyran-3-yl]sulfanylphenyl]methyl]benzonitrile CAS Name: 4-[[4-[[2-(3-fluorophenyl)-4-methoxy-3-oxanyl]thio]phenyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(3-fluorophenyl)-4-methoxyoxan-3-yl]sulfanylphenyl]methyl]benzonitrile Traditional Name: 4-[4-[[2-(3-fluorophenyl)-4-methoxy-tetrahydropyran-3-yl]thio]benzyl]benzonitrile Formula: C26H24FNO2S MolecularWeight: 433.537663

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCOC(C1SC2=CC=C(C=C2)CC3=CC=C(C=C3)C#N)C4=CC(=CC=C4)F

Isomeric SMILES

COC1CCOC(C1SC2=CC=C(C=C2)CC3=CC=C(C=C3)C#N)C4=CC(=CC=C4)F

InChI

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