(2S,6R)-2-(4-methylphenyl)-6-phenyl-thian-4-one

Systemtic Name: (2S,6R)-2-(4-methylphenyl)-6-phenyl-thian-4-one Openeye Name: (2R,6S)-2-phenyl-6-(p-tolyl)tetrahydrothiopyran-4-one CAS Name: (2S,6R)-2-(4-methylphenyl)-6-phenyl-4-thianone IUPAC Name: (2S,6R)-2-(4-methylphenyl)-6-phenylthian-4-one Traditional Name: (2R,6S)-2-phenyl-6-(p-tolyl)tetrahydrothiopyran-4-one Formula: C18H18OS MolecularWeight: 282.39992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)CC(S2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2CC(=O)C[C@@H](S2)C3=CC=CC=C3

InChI

InChI=1S/C18H18OS/c1-13-7-9-15(10-8-13)18-12-16(19)11-17(20-18)14-5-3-2-4-6-14/h2-10,17-18H,11-12H2,1H3/t17-,18+/m1/s1