2-[(4-methylphenyl)methylsulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-1-phenyl-ethanone Openeye Name: 1-phenyl-2-(p-tolylmethylsulfanyl)ethanone CAS Name: 2-[(4-methylphenyl)methylthio]-1-phenylethanone IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-1-phenylethanone Traditional Name: 2-[(4-methylbenzyl)thio]-1-phenyl-ethanone Formula: C16H16OS MolecularWeight: 256.36264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16OS/c1-13-7-9-14(10-8-13)11-18-12-16(17)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3