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

Systemtic Name: 2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4-isopropyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-besylpiperazin-1-ium-1-yl)methyl]-4-isopropyl-1,2,4-triazole-3-thione Formula: C16H24N5O2S2+ MolecularWeight: 382.52406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)N1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H23N5O2S2/c1-14(2)20-12-17-21(16(20)24)13-18-8-10-19(11-9-18)25(22,23)15-6-4-3-5-7-15/h3-7,12,14H,8-11,13H2,1-2H3/p+1