4-(4-chlorophenyl)-1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-(2-methylphenyl)imidazole-2-thione

Systemtic Name: 4-(4-chlorophenyl)-1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-(2-methylphenyl)imidazole-2-thione Openeye Name: 4-(4-chlorophenyl)-1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-(o-tolyl)imidazole-2-thione CAS Name: 4-(4-chlorophenyl)-1-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-3-(2-methylphenyl)-2-imidazolethione IUPAC Name: 4-(4-chlorophenyl)-1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-(2-methylphenyl)imidazole-2-thione Traditional Name: 4-(4-chlorophenyl)-1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-(o-tolyl)-4-imidazoline-2-thione Formula: C27H27ClFN4S+ MolecularWeight: 494.046483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4F)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC=CC=C1N2C(=CN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4F)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H26ClFN4S/c1-20-6-2-4-8-24(20)33-26(21-10-12-22(28)13-11-21)18-32(27(33)34)19-30-14-16-31(17-15-30)25-9-5-3-7-23(25)29/h2-13,18H,14-17,19H2,1H3/p+1