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

Systemtic Name: 1-methyl-4-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-4-methyl-tetrazole-5-thione CAS Name: 1-methyl-4-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-tetrazolethione IUPAC Name: 1-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-4-methyltetrazole-5-thione Traditional Name: 1-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-4-methyl-tetrazole-5-thione Formula: C14H21N6O2S2+ MolecularWeight: 369.48554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)N(N=N1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=S)N(N=N1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C14H20N6O2S2/c1-17-14(23)20(16-15-17)12-18-7-9-19(10-8-18)24(21,22)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3/p+1