3-(4-bromophenyl)-2,4-bis[(4-methylphenyl)sulfanyl]-1,5-diphenyl-pentane-1,5-dione

Systemtic Name: 3-(4-bromophenyl)-2,4-bis[(4-methylphenyl)sulfanyl]-1,5-diphenyl-pentane-1,5-dione Openeye Name: 3-(4-bromophenyl)-1,5-diphenyl-2,4-bis(p-tolylsulfanyl)pentane-1,5-dione CAS Name: 3-(4-bromophenyl)-2,4-bis[(4-methylphenyl)thio]-1,5-diphenylpentane-1,5-dione IUPAC Name: 3-(4-bromophenyl)-2,4-bis[(4-methylphenyl)sulfanyl]-1,5-diphenylpentane-1,5-dione Traditional Name: 3-(4-bromophenyl)-1,5-diphenyl-2,4-bis(p-tolylthio)pentane-1,5-dione Formula: C37H31BrO2S2 MolecularWeight: 651.67484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C(C2=CC=C(C=C2)Br)C(C(=O)C3=CC=CC=C3)SC4=CC=C(C=C4)C)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)SC(C(C2=CC=C(C=C2)Br)C(C(=O)C3=CC=CC=C3)SC4=CC=C(C=C4)C)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C37H31BrO2S2/c1-25-13-21-31(22-14-25)41-36(34(39)28-9-5-3-6-10-28)33(27-17-19-30(38)20-18-27)37(35(40)29-11-7-4-8-12-29)42-32-23-15-26(2)16-24-32/h3-24,33,36-37H,1-2H3