4-[4-(2,5-dimethylpyrrol-1-yl)-2,6-bis(fluoranyl)phenyl]thian-4-ol

Systemtic Name: 4-[4-(2,5-dimethylpyrrol-1-yl)-2,6-bis(fluoranyl)phenyl]thian-4-ol Openeye Name: 4-[4-(2,5-dimethylpyrrol-1-yl)-2,6-difluoro-phenyl]tetrahydrothiopyran-4-ol CAS Name: 4-[4-(2,5-dimethyl-1-pyrrolyl)-2,6-difluorophenyl]-4-thianol IUPAC Name: 4-[4-(2,5-dimethylpyrrol-1-yl)-2,6-difluorophenyl]thian-4-ol Traditional Name: 4-[4-(2,5-dimethylpyrrol-1-yl)-2,6-difluoro-phenyl]tetrahydrothiopyran-4-ol Formula: C17H19F2NOS MolecularWeight: 323.400666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC(=C(C(=C2)F)C3(CCSCC3)O)F)C

Isomeric SMILES

CC1=CC=C(N1C2=CC(=C(C(=C2)F)C3(CCSCC3)O)F)C

InChI

InChI=1S/C17H19F2NOS/c1-11-3-4-12(2)20(11)13-9-14(18)16(15(19)10-13)17(21)5-7-22-8-6-17/h3-4,9-10,21H,5-8H2,1-2H3