3-[(4-methylphenyl)sulfanyl-phenyl-methyl]pentane-2,4-dione

Systemtic Name: 3-[(4-methylphenyl)sulfanyl-phenyl-methyl]pentane-2,4-dione Openeye Name: 3-[phenyl(p-tolylsulfanyl)methyl]pentane-2,4-dione CAS Name: 3-[[(4-methylphenyl)thio]-phenylmethyl]pentane-2,4-dione IUPAC Name: 3-[(4-methylphenyl)sulfanyl-phenylmethyl]pentane-2,4-dione Traditional Name: 3-[phenyl-(p-tolylthio)methyl]pentane-2,4-dione Formula: C19H20O2S MolecularWeight: 312.4259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(C(=O)C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC(C2=CC=CC=C2)C(C(=O)C)C(=O)C

InChI

InChI=1S/C19H20O2S/c1-13-9-11-17(12-10-13)22-19(16-7-5-4-6-8-16)18(14(2)20)15(3)21/h4-12,18-19H,1-3H3