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

Systemtic Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-5-pyridin-4-yl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-5-(4-pyridyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]methyl]-5-pyridin-4-yl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-5-pyridin-4-yl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-piazthiol-4-ylsulfonylpiperazino)methyl]-5-(4-pyridyl)-1H-1,2,4-triazole-3-thione Formula: C18H18N8O2S3 MolecularWeight: 474.58292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)N=C(N2)C3=CC=NC=C3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CCN1CN2C(=S)N=C(N2)C3=CC=NC=C3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C18H18N8O2S3/c27-31(28,15-3-1-2-14-16(15)23-30-22-14)25-10-8-24(9-11-25)12-26-18(29)20-17(21-26)13-4-6-19-7-5-13/h1-7H,8-12H2,(H,20,21,29)