1-[[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione

Systemtic Name: 1-[[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione Openeye Name: 1-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione CAS Name: 1-[[4-(2,5-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-methyl-2-imidazolethione IUPAC Name: 1-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methylimidazole-2-thione Traditional Name: 1-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-4-imidazoline-2-thione Formula: C15H19F2N4O2S2+ MolecularWeight: 389.463766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

CN1C=CN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C15H18F2N4O2S2/c1-18-4-7-20(15(18)24)11-19-5-8-21(9-6-19)25(22,23)14-10-12(16)2-3-13(14)17/h2-4,7,10H,5-6,8-9,11H2,1H3/p+1