2-ethylsulfonyl-1,3-bis(4-fluorophenyl)-6-(1H-pyrazol-4-yl)-1-(triphenylmethyl)-2H-benzimidazol-1-ium

Systemtic Name: 2-ethylsulfonyl-1,3-bis(4-fluorophenyl)-6-(1H-pyrazol-4-yl)-1-(triphenylmethyl)-2H-benzimidazol-1-ium Openeye Name: 2-ethylsulfonyl-1,3-bis(4-fluorophenyl)-6-(1H-pyrazol-4-yl)-1-trityl-2H-benzimidazol-1-ium CAS Name: 2-ethylsulfonyl-1,3-bis(4-fluorophenyl)-6-(1H-pyrazol-4-yl)-1-(triphenylmethyl)-2H-benzimidazol-1-ium IUPAC Name: 2-ethylsulfonyl-1,3-bis(4-fluorophenyl)-6-(1H-pyrazol-4-yl)-1-trityl-2H-benzimidazol-1-ium Traditional Name: 2-esyl-1,3-bis(4-fluorophenyl)-6-(1H-pyrazol-4-yl)-1-trityl-2H-benzimidazol-1-ium Formula: C43H35F2N4O2S+ MolecularWeight: 709.825406

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1N(C2=C([N+]1(C3=CC=C(C=C3)F)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C=C(C=C2)C7=CNN=C7)C8=CC=C(C=C8)F

Isomeric SMILES

CCS(=O)(=O)C1N(C2=C([N+]1(C3=CC=C(C=C3)F)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C=C(C=C2)C7=CNN=C7)C8=CC=C(C=C8)F

InChI

InChI=1S/C43H35F2N4O2S/c1-2-52(50,51)42-48(38-23-19-36(44)20-24-38)40-27-18-31(32-29-46-47-30-32)28-41(40)49(42,39-25-21-37(45)22-26-39)43(33-12-6-3-7-13-33,34-14-8-4-9-15-34)35-16-10-5-11-17-35/h3-30,42H,2H2,1H3,(H,46,47)/q+1