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

Systemtic Name: 5-(methylamino)-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-(methylamino)-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-5-(methylamino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-(methylamino)-1,3,4-thiadiazole-2-thione Traditional Name: 3-[(4-besylpiperazin-1-ium-1-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-thione Formula: C14H20N5O2S3+ MolecularWeight: 386.5359

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN(C(=S)S1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CNC1=NN(C(=S)S1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H19N5O2S3/c1-15-13-16-19(14(22)23-13)11-17-7-9-18(10-8-17)24(20,21)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,15,16)/p+1