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

Systemtic Name: 4-[3-fluoranyl-5-[4-(2-methylpyrrol-1-yl)phenyl]sulfanyl-phenyl]oxane-4-carbonitrile Openeye Name: 4-[3-fluoro-5-[4-(2-methylpyrrol-1-yl)phenyl]sulfanyl-phenyl]tetrahydropyran-4-carbonitrile CAS Name: 4-[3-fluoro-5-[[4-(2-methyl-1-pyrrolyl)phenyl]thio]phenyl]-4-oxanecarbonitrile IUPAC Name: 4-[3-fluoro-5-[4-(2-methylpyrrol-1-yl)phenyl]sulfanylphenyl]oxane-4-carbonitrile Traditional Name: 4-[3-fluoro-5-[[4-(2-methylpyrrol-1-yl)phenyl]thio]phenyl]tetrahydropyran-4-carbonitrile Formula: C23H21FN2OS MolecularWeight: 392.489043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN1C2=CC=C(C=C2)SC3=CC(=CC(=C3)F)C4(CCOCC4)C#N

Isomeric SMILES

CC1=CC=CN1C2=CC=C(C=C2)SC3=CC(=CC(=C3)F)C4(CCOCC4)C#N

InChI

InChI=1S/C23H21FN2OS/c1-17-3-2-10-26(17)20-4-6-21(7-5-20)28-22-14-18(13-19(24)15-22)23(16-25)8-11-27-12-9-23/h2-7,10,13-15H,8-9,11-12H2,1H3