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

Systemtic Name: 3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-5-methyl-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole-2-thione Traditional Name: 5-methyl-3-[(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Formula: C14H17N6O3S3+ MolecularWeight: 413.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=NN(C(=S)O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C14H16N6O3S3/c1-10-15-20(14(24)23-10)9-18-5-7-19(8-6-18)26(21,22)12-4-2-3-11-13(12)17-25-16-11/h2-4H,5-9H2,1H3/p+1