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

Systemtic Name: 4-[3-fluoranyl-5-[4-(2-methylimidazol-1-yl)phenyl]sulfanyl-phenyl]oxane-4-carboxamide Openeye Name: 4-[3-fluoro-5-[4-(2-methylimidazol-1-yl)phenyl]sulfanyl-phenyl]tetrahydropyran-4-carboxamide CAS Name: 4-[3-fluoro-5-[[4-(2-methyl-1-imidazolyl)phenyl]thio]phenyl]-4-oxanecarboxamide IUPAC Name: 4-[3-fluoro-5-[4-(2-methylimidazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide Traditional Name: 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]thio]phenyl]tetrahydropyran-4-carboxamide Formula: C22H22FN3O2S MolecularWeight: 411.492383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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