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

Systemtic Name: 5-(methylamino)-3-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-thione CAS Name: 5-(methylamino)-3-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-thione Traditional Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-thione Formula: C15H22N5O2S3+ MolecularWeight: 400.56248

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN(C(=S)S1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CNC1=NN(C(=S)S1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C15H21N5O2S3/c1-16-14-17-20(15(23)24-14)12-18-7-9-19(10-8-18)25(21,22)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,16,17)/p+1