5-(4-methylphenyl)-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-methylphenyl)-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(p-tolyl)-2-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-methylphenyl)-2-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methylphenyl)-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(p-tolyl)-2-[(4-tosylpiperazin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione Formula: C21H26N5O2S2+ MolecularWeight: 444.59344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H25N5O2S2/c1-16-3-7-18(8-4-16)20-22-21(29)26(23-20)15-24-11-13-25(14-12-24)30(27,28)19-9-5-17(2)6-10-19/h3-10H,11-15H2,1-2H3,(H,22,23,29)/p+1