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2-[4-(2-phenylethynyl)phenyl]-1-(trifluoromethylsulfonyl)benzimidazole

2-[4-(2-phenylethynyl)phenyl]-1-(trifluoromethylsulfonyl)benzimidazole

Systemtic Name:2-[4-(2-phenylethynyl)phenyl]-1-(trifluoromethylsulfonyl)benzimidazole
Openeye Name:2-[4-(2-phenylethynyl)phenyl]-1-(trifluoromethylsulfonyl)benzimidazole
CAS Name:2-[4-(2-phenylethynyl)phenyl]-1-(trifluoromethylsulfonyl)benzimidazole
IUPAC Name:2-[4-(2-phenylethynyl)phenyl]-1-(trifluoromethylsulfonyl)benzimidazole
Traditional Name:2-[4-(2-phenylethynyl)phenyl]-1-triflyl-benzimidazole
Formula: C22H13F3N2O2S
MolecularWeight: 426.41103
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3S(=O)(=O)C(F)(F)F


Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3S(=O)(=O)C(F)(F)F


InChI

InChI=1S/C22H13F3N2O2S/c23-22(24,25)30(28,29)27-20-9-5-4-8-19(20)26-21(27)18-14-12-17(13-15-18)11-10-16-6-2-1-3-7-16/h1-9,12-15H


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