4-[3-fluoranyl-5-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]sulfanyl-phenyl]oxane-4-carbonitrile

Systemtic Name: 4-[3-fluoranyl-5-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]sulfanyl-phenyl]oxane-4-carbonitrile Openeye Name: 4-[3-fluoro-5-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]sulfanyl-phenyl]tetrahydropyran-4-carbonitrile CAS Name: 4-[3-fluoro-5-[[4-[(2-methyl-1-pyrrolyl)methyl]phenyl]thio]phenyl]-4-oxanecarbonitrile IUPAC Name: 4-[3-fluoro-5-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]sulfanylphenyl]oxane-4-carbonitrile Traditional Name: 4-[3-fluoro-5-[[4-[(2-methylpyrrol-1-yl)methyl]phenyl]thio]phenyl]tetrahydropyran-4-carbonitrile Formula: C24H23FN2OS MolecularWeight: 406.515623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN1CC2=CC=C(C=C2)SC3=CC(=CC(=C3)F)C4(CCOCC4)C#N

Isomeric SMILES

CC1=CC=CN1CC2=CC=C(C=C2)SC3=CC(=CC(=C3)F)C4(CCOCC4)C#N

InChI

InChI=1S/C24H23FN2OS/c1-18-3-2-10-27(18)16-19-4-6-22(7-5-19)29-23-14-20(13-21(25)15-23)24(17-26)8-11-28-12-9-24/h2-7,10,13-15H,8-9,11-12,16H2,1H3