2-[[2,6-bis(fluoranyl)phenyl]methylsulfanyl]-3-(4-bromophenyl)sulfonyl-1H-benzimidazol-3-ium

Systemtic Name: 2-[[2,6-bis(fluoranyl)phenyl]methylsulfanyl]-3-(4-bromophenyl)sulfonyl-1H-benzimidazol-3-ium Openeye Name: 3-(4-bromophenyl)sulfonyl-2-[(2,6-difluorophenyl)methylsulfanyl]-1H-benzimidazol-3-ium CAS Name: 3-(4-bromophenyl)sulfonyl-2-[(2,6-difluorophenyl)methylthio]-1H-benzimidazol-3-ium IUPAC Name: 3-(4-bromophenyl)sulfonyl-2-[(2,6-difluorophenyl)methylsulfanyl]-1H-benzimidazol-3-ium Traditional Name: 3-brosyl-2-[(2,6-difluorobenzyl)thio]-1H-benzimidazol-3-ium Formula: C20H14BrF2N2O2S2+ MolecularWeight: 496.368166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2S(=O)(=O)C3=CC=C(C=C3)Br)SCC4=C(C=CC=C4F)F

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2S(=O)(=O)C3=CC=C(C=C3)Br)SCC4=C(C=CC=C4F)F

InChI

InChI=1S/C20H13BrF2N2O2S2/c21-13-8-10-14(11-9-13)29(26,27)25-19-7-2-1-6-18(19)24-20(25)28-12-15-16(22)4-3-5-17(15)23/h1-11H,12H2/p+1