(4R)-4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-fluoranyl-2,3-dihydrothiochromen-4-ol

Systemtic Name: (4R)-4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-fluoranyl-2,3-dihydrothiochromen-4-ol Openeye Name: (4R)-4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-fluoro-thiochroman-4-ol CAS Name: (4R)-4-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-6-fluoro-2,3-dihydro-1-benzothiopyran-4-ol IUPAC Name: (4R)-4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-fluoro-2,3-dihydrothiochromen-4-ol Traditional Name: (4R)-4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-fluoro-thiochroman-4-ol Formula: C21H20FNOS MolecularWeight: 353.453003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C3(CCSC4=C3C=C(C=C4)F)O)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)[C@@]3(CCSC4=C3C=C(C=C4)F)O)C

InChI

InChI=1S/C21H20FNOS/c1-14-3-4-15(2)23(14)18-8-5-16(6-9-18)21(24)11-12-25-20-10-7-17(22)13-19(20)21/h3-10,13,24H,11-12H2,1-2H3/t21-/m1/s1