2-[5-phenyl-2-[3-(2-phenylethynyl)phenyl]-1H-imidazol-4-yl]phenoxathiine 10,10-dioxide

Systemtic Name: 2-[5-phenyl-2-[3-(2-phenylethynyl)phenyl]-1H-imidazol-4-yl]phenoxathiine 10,10-dioxide Openeye Name: 2-[5-phenyl-2-[3-(2-phenylethynyl)phenyl]-1H-imidazol-4-yl]phenoxathiine 10,10-dioxide CAS Name: 2-[5-phenyl-2-[3-(2-phenylethynyl)phenyl]-1H-imidazol-4-yl]phenoxathiine 10,10-dioxide IUPAC Name: 2-[5-phenyl-2-[3-(2-phenylethynyl)phenyl]-1H-imidazol-4-yl]phenoxathiine 10,10-dioxide Traditional Name: 2-[5-phenyl-2-[3-(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(=CC=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(=CC=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)31-17-8-7-16-29(31)40-30-21-20-27(23-32(30)41)34-33(26-13-5-2-6-14-26)36-35(37-34)28-15-9-12-25(22-28)19-18-24-10-3-1-4-11-24/h1-17,20-23H,(H,36,37)