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

Systemtic Name: 2-[5-phenyl-2-[4-(2-phenylethynyl)phenyl]-1H-imidazol-4-yl]phenoxathiine 10,10-dioxide Openeye Name: 2-[5-phenyl-2-[4-(2-phenylethynyl)phenyl]-1H-imidazol-4-yl]phenoxathiine 10,10-dioxide CAS Name: 2-[5-phenyl-2-[4-(2-phenylethynyl)phenyl]-1H-imidazol-4-yl]phenoxathiine 10,10-dioxide IUPAC Name: 2-[5-phenyl-2-[4-(2-phenylethynyl)phenyl]-1H-imidazol-4-yl]phenoxathiine 10,10-dioxide Traditional Name: 2-[5-phenyl-2-[4-(2-phenylethynyl)phenyl]-1H-imidazol-4-yl]phenoxathiine 10,10-dioxide Formula: C35H22N2O3S MolecularWeight: 550.62578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=NC(=C(N3)C4=CC=CC=C4)C5=CC6=C(C=C5)OC7=CC=CC=C7S6(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=NC(=C(N3)C4=CC=CC=C4)C5=CC6=C(C=C5)OC7=CC=CC=C7S6(=O)=O

InChI

InChI=1S/C35H22N2O3S/c38-41(39)31-14-8-7-13-29(31)40-30-22-21-28(23-32(30)41)34-33(26-11-5-2-6-12-26)36-35(37-34)27-19-17-25(18-20-27)16-15-24-9-3-1-4-10-24/h1-14,17-23H,(H,36,37)