2-[3-[2-fluoranyl-4-(4-oxidanyloxan-4-yl)phenyl]sulfanylphenyl]-2-methyl-propanenitrile

Systemtic Name: 2-[3-[2-fluoranyl-4-(4-oxidanyloxan-4-yl)phenyl]sulfanylphenyl]-2-methyl-propanenitrile Openeye Name: 2-[3-[2-fluoro-4-(4-hydroxytetrahydropyran-4-yl)phenyl]sulfanylphenyl]-2-methyl-propanenitrile CAS Name: 2-[3-[[2-fluoro-4-(4-hydroxy-4-oxanyl)phenyl]thio]phenyl]-2-methylpropanenitrile IUPAC Name: 2-[3-[2-fluoro-4-(4-hydroxyoxan-4-yl)phenyl]sulfanylphenyl]-2-methylpropanenitrile Traditional Name: 2-[3-[[2-fluoro-4-(4-hydroxytetrahydropyran-4-yl)phenyl]thio]phenyl]-2-methyl-propionitrile Formula: C21H22FNO2S MolecularWeight: 371.468283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=CC=C1)SC2=C(C=C(C=C2)C3(CCOCC3)O)F

Isomeric SMILES

CC(C)(C#N)C1=CC(=CC=C1)SC2=C(C=C(C=C2)C3(CCOCC3)O)F

InChI

InChI=1S/C21H22FNO2S/c1-20(2,14-23)15-4-3-5-17(12-15)26-19-7-6-16(13-18(19)22)21(24)8-10-25-11-9-21/h3-7,12-13,24H,8-11H2,1-2H3