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

Systemtic Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-5-phenyl-2-[(4-piazthiol-4-ylsulfonylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C20H21N7O2S3 MolecularWeight: 487.62144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)C5=CC=CC=C5

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)C5=CC=CC=C5

InChI

InChI=1S/C20H21N7O2S3/c1-24-19(15-6-3-2-4-7-15)21-27(20(24)30)14-25-10-12-26(13-11-25)32(28,29)17-9-5-8-16-18(17)23-31-22-16/h2-9H,10-14H2,1H3