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

Systemtic Name: 4-ethyl-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-ethyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-4-ethyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-besylpiperazin-1-ium-1-yl)methyl]-4-ethyl-1,2,4-triazole-3-thione Formula: C15H22N5O2S2+ MolecularWeight: 368.49748

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H21N5O2S2/c1-2-18-12-16-20(15(18)23)13-17-8-10-19(11-9-17)24(21,22)14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3/p+1