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

Systemtic Name: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-pentyl-1,2,4-triazole-3-thione Openeye Name: 4-pentyl-2-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-pentyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-pentyl-1,2,4-triazole-3-thione Traditional Name: 4-amyl-2-[(4-tosylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C19H30N5O2S2+ MolecularWeight: 424.6038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O2S2/c1-3-4-5-10-22-15-20-24(19(22)27)16-21-11-13-23(14-12-21)28(25,26)18-8-6-17(2)7-9-18/h6-9,15H,3-5,10-14,16H2,1-2H3/p+1