4-[3-[3-fluoranyl-4-(2-methylpyrazol-3-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide

Systemtic Name: 4-[3-[3-fluoranyl-4-(2-methylpyrazol-3-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide Openeye Name: 4-[3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]sulfanylphenyl]tetrahydropyran-4-carboxamide CAS Name: 4-[3-[[3-fluoro-4-(2-methyl-3-pyrazolyl)phenyl]thio]phenyl]-4-oxanecarboxamide IUPAC Name: 4-[3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide Traditional Name: 4-[3-[[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]thio]phenyl]tetrahydropyran-4-carboxamide Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C2=C(C=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C(=O)N)F

Isomeric SMILES

CN1C(=CC=N1)C2=C(C=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C(=O)N)F

InChI

InChI=1S/C22H22FN3O2S/c1-26-20(7-10-25-26)18-6-5-17(14-19(18)23)29-16-4-2-3-15(13-16)22(21(24)27)8-11-28-12-9-22/h2-7,10,13-14H,8-9,11-12H2,1H3,(H2,24,27)