2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C19H21N8O2S3+ MolecularWeight: 489.61744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)C5=CC=NC=C5

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)C5=CC=NC=C5

InChI

InChI=1S/C19H20N8O2S3/c1-24-18(14-5-7-20-8-6-14)21-27(19(24)30)13-25-9-11-26(12-10-25)32(28,29)16-4-2-3-15-17(16)23-31-22-15/h2-8H,9-13H2,1H3/p+1