1-(4-methylphenyl)sulfonyl-2-[4-(2-phenylethynyl)phenyl]benzimidazole

Systemtic Name: 1-(4-methylphenyl)sulfonyl-2-[4-(2-phenylethynyl)phenyl]benzimidazole Openeye Name: 2-[4-(2-phenylethynyl)phenyl]-1-(p-tolylsulfonyl)benzimidazole CAS Name: 1-(4-methylphenyl)sulfonyl-2-[4-(2-phenylethynyl)phenyl]benzimidazole IUPAC Name: 1-(4-methylphenyl)sulfonyl-2-[4-(2-phenylethynyl)phenyl]benzimidazole Traditional Name: 2-[4-(2-phenylethynyl)phenyl]-1-tosyl-benzimidazole Formula: C28H20N2O2S MolecularWeight: 448.5356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2C4=CC=C(C=C4)C#CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2C4=CC=C(C=C4)C#CC5=CC=CC=C5

InChI

InChI=1S/C28H20N2O2S/c1-21-11-19-25(20-12-21)33(31,32)30-27-10-6-5-9-26(27)29-28(30)24-17-15-23(16-18-24)14-13-22-7-3-2-4-8-22/h2-12,15-20H,1H3