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

Systemtic Name: 4-[4-fluoranyl-3-[4-(2-methylpyrazol-3-yl)phenyl]sulfanyl-phenyl]oxane-4-carboxamide Openeye Name: 4-[4-fluoro-3-[4-(2-methylpyrazol-3-yl)phenyl]sulfanyl-phenyl]tetrahydropyran-4-carboxamide CAS Name: 4-[4-fluoro-3-[[4-(2-methyl-3-pyrazolyl)phenyl]thio]phenyl]-4-oxanecarboxamide IUPAC Name: 4-[4-fluoro-3-[4-(2-methylpyrazol-3-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide Traditional Name: 4-[4-fluoro-3-[[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=CC=C(C=C2)SC3=C(C=CC(=C3)C4(CCOCC4)C(=O)N)F

Isomeric SMILES

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

InChI

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