(2R,3R,6S)-6-(4-chlorophenyl)-3-methyl-2-phenyl-thian-4-one

Systemtic Name: (2R,3R,6S)-6-(4-chlorophenyl)-3-methyl-2-phenyl-thian-4-one Openeye Name: (2R,3R,6S)-6-(4-chlorophenyl)-3-methyl-2-phenyl-tetrahydrothiopyran-4-one CAS Name: (2R,3R,6S)-6-(4-chlorophenyl)-3-methyl-2-phenyl-4-thianone IUPAC Name: (2R,3R,6S)-6-(4-chlorophenyl)-3-methyl-2-phenylthian-4-one Traditional Name: (2R,3R,6S)-6-(4-chlorophenyl)-3-methyl-2-phenyl-tetrahydrothiopyran-4-one Formula: C18H17ClOS MolecularWeight: 316.84498

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(SC(CC1=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1[C@@H](S[C@@H](CC1=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H17ClOS/c1-12-16(20)11-17(13-7-9-15(19)10-8-13)21-18(12)14-5-3-2-4-6-14/h2-10,12,17-18H,11H2,1H3/t12-,17+,18-/m1/s1