6,6-dimethyl-1-phenyl-3-(phenylmethylsulfanyl)-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 6,6-dimethyl-1-phenyl-3-(phenylmethylsulfanyl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 3-benzylsulfanyl-6,6-dimethyl-1-phenyl-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-1-phenyl-3-(phenylmethylthio)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 3-benzylsulfanyl-6,6-dimethyl-1-phenyl-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 3-(benzylthio)-6,6-dimethyl-1-phenyl-5,7-dihydroisobenzothiophen-4-one Formula: C23H22OS2 MolecularWeight: 378.55018

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SCC3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SCC3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H22OS2/c1-23(2)13-18-20(19(24)14-23)22(25-15-16-9-5-3-6-10-16)26-21(18)17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3