4-pentyl-2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-pentyl-2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4-pentyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-4-pentyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4-pentyl-1,2,4-triazole-3-thione Traditional Name: 4-amyl-2-[(4-besylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C18H28N5O2S2+ MolecularWeight: 410.57722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H27N5O2S2/c1-2-3-7-10-21-15-19-23(18(21)26)16-20-11-13-22(14-12-20)27(24,25)17-8-5-4-6-9-17/h4-6,8-9,15H,2-3,7,10-14,16H2,1H3/p+1