3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-5-(propylthio)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione Traditional Name: 3-[(4-besylpiperazin-1-ium-1-yl)methyl]-5-(propylthio)-1,3,4-thiadiazole-2-thione Formula: C16H23N4O2S4+ MolecularWeight: 431.63942

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN(C(=S)S1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCSC1=NN(C(=S)S1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H22N4O2S4/c1-2-12-24-15-17-20(16(23)25-15)13-18-8-10-19(11-9-18)26(21,22)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3/p+1