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

Systemtic Name: 1-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-1,2,3,4-tetrazole-5-thione Openeye Name: 1-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-tetrazole-5-thione CAS Name: 1-[[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-methyl-5-tetrazolethione IUPAC Name: 1-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyltetrazole-5-thione Traditional Name: 1-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-tetrazole-5-thione Formula: C13H18FN6O2S2+ MolecularWeight: 373.449423

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)N(N=N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CN1C(=S)N(N=N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C13H17FN6O2S2/c1-17-13(23)20(16-15-17)10-18-6-8-19(9-7-18)24(21,22)12-5-3-2-4-11(12)14/h2-5H,6-10H2,1H3/p+1