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

Systemtic Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-5-cyclopropyl-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-4-methyl-2-[(4-piazthiol-4-ylsulfonylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C17H21N7O2S3 MolecularWeight: 451.58934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)C5CC5

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)C5CC5

InChI

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