4-[2-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]thian-4-ol

Systemtic Name: 4-[2-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]thian-4-ol Openeye Name: 4-[2-(5,5-dimethyl-4H-oxazol-2-yl)phenyl]tetrahydrothiopyran-4-ol CAS Name: 4-[2-(5,5-dimethyl-4H-oxazol-2-yl)phenyl]-4-thianol IUPAC Name: 4-[2-(5,5-dimethyl-4H-1,3-oxazol-2-yl)phenyl]thian-4-ol Traditional Name: 4-[2-(5,5-dimethyl-2-oxazolin-2-yl)phenyl]tetrahydrothiopyran-4-ol Formula: C16H21NO2S MolecularWeight: 291.40844

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN=C(O1)C2=CC=CC=C2C3(CCSCC3)O)C

Isomeric SMILES

CC1(CN=C(O1)C2=CC=CC=C2C3(CCSCC3)O)C

InChI

InChI=1S/C16H21NO2S/c1-15(2)11-17-14(19-15)12-5-3-4-6-13(12)16(18)7-9-20-10-8-16/h3-6,18H,7-11H2,1-2H3