2,6-bis(2,4-dimethylphenyl)thian-4-one

Systemtic Name: 2,6-bis(2,4-dimethylphenyl)thian-4-one Openeye Name: 2,6-bis(2,4-dimethylphenyl)tetrahydrothiopyran-4-one CAS Name: 2,6-bis(2,4-dimethylphenyl)-4-thianone IUPAC Name: 2,6-bis(2,4-dimethylphenyl)thian-4-one Traditional Name: 2,6-bis(2,4-dimethylphenyl)tetrahydrothiopyran-4-one Formula: C21H24OS MolecularWeight: 324.47966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24OS/c1-13-5-7-18(15(3)9-13)20-11-17(22)12-21(23-20)19-8-6-14(2)10-16(19)4/h5-10,20-21H,11-12H2,1-4H3