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

Systemtic Name: 4-[3-fluoranyl-5-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]sulfanyl-phenyl]oxane-4-carboxamide Openeye Name: 4-[3-fluoro-5-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]sulfanyl-phenyl]tetrahydropyran-4-carboxamide CAS Name: 4-[3-fluoro-5-[[4-[(2-methyl-1-pyrrolyl)methyl]phenyl]thio]phenyl]-4-oxanecarboxamide IUPAC Name: 4-[3-fluoro-5-[4-[(2-methylpyrrol-1-yl)methyl]phenyl]sulfanylphenyl]oxane-4-carboxamide Traditional Name: 4-[3-fluoro-5-[[4-[(2-methylpyrrol-1-yl)methyl]phenyl]thio]phenyl]tetrahydropyran-4-carboxamide Formula: C24H25FN2O2S MolecularWeight: 424.530903

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C24H25FN2O2S/c1-17-3-2-10-27(17)16-18-4-6-21(7-5-18)30-22-14-19(13-20(25)15-22)24(23(26)28)8-11-29-12-9-24/h2-7,10,13-15H,8-9,11-12,16H2,1H3,(H2,26,28)