5-[(4-methylphenyl)sulfanylmethyl]-5-phenyl-1,4,6,6a-tetrahydropentalen-2-one

Systemtic Name: 5-[(4-methylphenyl)sulfanylmethyl]-5-phenyl-1,4,6,6a-tetrahydropentalen-2-one Openeye Name: 5-phenyl-5-(p-tolylsulfanylmethyl)-1,4,6,6a-tetrahydropentalen-2-one CAS Name: 5-[[(4-methylphenyl)thio]methyl]-5-phenyl-1,4,6,6a-tetrahydropentalen-2-one IUPAC Name: 5-[(4-methylphenyl)sulfanylmethyl]-5-phenyl-1,4,6,6a-tetrahydropentalen-2-one Traditional Name: 5-phenyl-5-[(p-tolylthio)methyl]-1,4,6,6a-tetrahydropentalen-2-one Formula: C22H22OS MolecularWeight: 334.47448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2(CC3CC(=O)C=C3C2)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SCC2(CC3CC(=O)C=C3C2)C4=CC=CC=C4

InChI

InChI=1S/C22H22OS/c1-16-7-9-21(10-8-16)24-15-22(19-5-3-2-4-6-19)13-17-11-20(23)12-18(17)14-22/h2-11,18H,12-15H2,1H3