2-[(3-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)sulfonyl-1H-benzimidazol-3-ium

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)sulfonyl-1H-benzimidazol-3-ium Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)sulfonyl-1H-benzimidazol-3-ium CAS Name: 2-[(3-fluorophenyl)methylthio]-3-(4-methoxyphenyl)sulfonyl-1H-benzimidazol-3-ium IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)sulfonyl-1H-benzimidazol-3-ium Traditional Name: 2-[(3-fluorobenzyl)thio]-3-(4-methoxyphenyl)sulfonyl-1H-benzimidazol-3-ium Formula: C21H18FN2O3S2+ MolecularWeight: 429.507623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)[N+]2=C(NC3=CC=CC=C32)SCC4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)[N+]2=C(NC3=CC=CC=C32)SCC4=CC(=CC=C4)F

InChI

InChI=1S/C21H17FN2O3S2/c1-27-17-9-11-18(12-10-17)29(25,26)24-20-8-3-2-7-19(20)23-21(24)28-14-15-5-4-6-16(22)13-15/h2-13H,14H2,1H3/p+1