2-[2-(4-methylsulfanylphenyl)-5-phenyl-1H-imidazol-4-yl]phenoxathiine 10,10-dioxide

Systemtic Name: 2-[2-(4-methylsulfanylphenyl)-5-phenyl-1H-imidazol-4-yl]phenoxathiine 10,10-dioxide Openeye Name: 2-[2-(4-methylsulfanylphenyl)-5-phenyl-1H-imidazol-4-yl]phenoxathiine 10,10-dioxide CAS Name: 2-[2-[4-(methylthio)phenyl]-5-phenyl-1H-imidazol-4-yl]phenoxathiine 10,10-dioxide IUPAC Name: 2-[2-(4-methylsulfanylphenyl)-5-phenyl-1H-imidazol-4-yl]phenoxathiine 10,10-dioxide Traditional Name: 2-[2-[4-(methylthio)phenyl]-5-phenyl-1H-imidazol-4-yl]phenoxathiine 10,10-dioxide Formula: C28H20N2O3S2 MolecularWeight: 496.6

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)OC6=CC=CC=C6S5(=O)=O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC5=C(C=C4)OC6=CC=CC=C6S5(=O)=O

InChI

InChI=1S/C28H20N2O3S2/c1-34-21-14-11-19(12-15-21)28-29-26(18-7-3-2-4-8-18)27(30-28)20-13-16-23-25(17-20)35(31,32)24-10-6-5-9-22(24)33-23/h2-17H,1H3,(H,29,30)