N-[[(5R)-3-(3-fluoranyl-4-pyrrol-1-yl-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]ethanethioamide

Systemtic Name: N-[[(5R)-3-(3-fluoranyl-4-pyrrol-1-yl-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]ethanethioamide Openeye Name: N-[[(5R)-3-(3-fluoro-4-pyrrol-1-yl-phenyl)-4,5-dihydroisoxazol-5-yl]methyl]thioacetamide CAS Name: N-[[(5R)-3-[3-fluoro-4-(1-pyrrolyl)phenyl]-4,5-dihydroisoxazol-5-yl]methyl]ethanethioamide IUPAC Name: N-[[(5R)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]ethanethioamide Traditional Name: N-[[(5R)-3-(3-fluoro-4-pyrrol-1-yl-phenyl)-2-isoxazolin-5-yl]methyl]thioacetamide Formula: C16H16FN3OS MolecularWeight: 317.381143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NCC1CC(=NO1)C2=CC(=C(C=C2)N3C=CC=C3)F

Isomeric SMILES

CC(=S)NC[C@H]1CC(=NO1)C2=CC(=C(C=C2)N3C=CC=C3)F

InChI

InChI=1S/C16H16FN3OS/c1-11(22)18-10-13-9-15(19-21-13)12-4-5-16(14(17)8-12)20-6-2-3-7-20/h2-8,13H,9-10H2,1H3,(H,18,22)/t13-/m1/s1