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

Systemtic Name: 4-[3-fluoranyl-5-[4-(2-methylpyrrol-1-yl)phenyl]sulfanyl-phenyl]oxane-4-carboxamide Openeye Name: 4-[3-fluoro-5-[4-(2-methylpyrrol-1-yl)phenyl]sulfanyl-phenyl]tetrahydropyran-4-carboxamide CAS Name: 4-[3-fluoro-5-[[4-(2-methyl-1-pyrrolyl)phenyl]thio]phenyl]-4-oxanecarboxamide IUPAC Name: 4-[3-fluoro-5-[4-(2-methylpyrrol-1-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide Traditional Name: 4-[3-fluoro-5-[[4-(2-methylpyrrol-1-yl)phenyl]thio]phenyl]tetrahydropyran-4-carboxamide Formula: C23H23FN2O2S MolecularWeight: 410.504323

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C23H23FN2O2S/c1-16-3-2-10-26(16)19-4-6-20(7-5-19)29-21-14-17(13-18(24)15-21)23(22(25)27)8-11-28-12-9-23/h2-7,10,13-15H,8-9,11-12H2,1H3,(H2,25,27)