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

Systemtic Name: 4-[3-fluoranyl-5-[4-(2-methylimidazol-1-yl)phenyl]sulfanyl-phenyl]oxane-4-carbonitrile Openeye Name: 4-[3-fluoro-5-[4-(2-methylimidazol-1-yl)phenyl]sulfanyl-phenyl]tetrahydropyran-4-carbonitrile CAS Name: 4-[3-fluoro-5-[[4-(2-methyl-1-imidazolyl)phenyl]thio]phenyl]-4-oxanecarbonitrile IUPAC Name: 4-[3-fluoro-5-[4-(2-methylimidazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carbonitrile Traditional Name: 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]thio]phenyl]tetrahydropyran-4-carbonitrile Formula: C22H20FN3OS MolecularWeight: 393.477103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20FN3OS/c1-16-25-8-9-26(16)19-2-4-20(5-3-19)28-21-13-17(12-18(23)14-21)22(15-24)6-10-27-11-7-22/h2-5,8-9,12-14H,6-7,10-11H2,1H3