3,6-bis[2-(4-methylsulfanylphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one

Systemtic Name: 3,6-bis[2-(4-methylsulfanylphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one Openeye Name: 3,6-bis[2-(4-methylsulfanylphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one CAS Name: 3,6-bis[2-[4-(methylthio)phenyl]-5-phenyl-1H-imidazol-4-yl]-9-fluorenone IUPAC Name: 3,6-bis[2-(4-methylsulfanylphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one Traditional Name: 3,6-bis[2-[4-(methylthio)phenyl]-5-phenyl-1H-imidazol-4-yl]fluoren-9-one Formula: C45H32N4OS2 MolecularWeight: 708.89178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC5=C(C=C4)C(=O)C6=C5C=C(C=C6)C7=C(NC(=N7)C8=CC=C(C=C8)SC)C9=CC=CC=C9

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC5=C(C=C4)C(=O)C6=C5C=C(C=C6)C7=C(NC(=N7)C8=CC=C(C=C8)SC)C9=CC=CC=C9

InChI

InChI=1S/C45H32N4OS2/c1-51-33-19-13-29(14-20-33)44-46-39(27-9-5-3-6-10-27)41(48-44)31-17-23-35-37(25-31)38-26-32(18-24-36(38)43(35)50)42-40(28-11-7-4-8-12-28)47-45(49-42)30-15-21-34(52-2)22-16-30/h3-26H,1-2H3,(H,46,48)(H,47,49)