1-(3-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione

Systemtic Name: 1-(3-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Openeye Name: 1-(3-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione CAS Name: 1-(3-fluorophenyl)-3-[(4-methylsulfonyl-1-piperazin-1-iumyl)methyl]-2-imidazolethione IUPAC Name: 1-(3-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Traditional Name: 1-(3-fluorophenyl)-3-[(4-mesylpiperazin-1-ium-1-yl)methyl]-4-imidazoline-2-thione Formula: C15H20FN4O2S2+ MolecularWeight: 371.473303

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CN2C=CN(C2=S)C3=CC(=CC=C3)F

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CN2C=CN(C2=S)C3=CC(=CC=C3)F

InChI

InChI=1S/C15H19FN4O2S2/c1-24(21,22)19-8-5-17(6-9-19)12-18-7-10-20(15(18)23)14-4-2-3-13(16)11-14/h2-4,7,10-11H,5-6,8-9,12H2,1H3/p+1