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

Systemtic Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-4-cyclopropyl-5-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-4-cyclopropyl-5-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-4-cyclopropyl-5-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-4-cyclopropyl-5-methyl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-5-methyl-2-[(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C17H22N7O2S3+ MolecularWeight: 452.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2CC2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

CC1=NN(C(=S)N1C2CC2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C17H21N7O2S3/c1-12-18-23(17(27)24(12)13-5-6-13)11-21-7-9-22(10-8-21)29(25,26)15-4-2-3-14-16(15)20-28-19-14/h2-4,13H,5-11H2,1H3/p+1