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

Systemtic Name: 1-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,3,4-tetrazole-5-thione Openeye Name: 1-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-phenyl-tetrazole-5-thione CAS Name: 1-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-phenyl-5-tetrazolethione IUPAC Name: 1-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-phenyltetrazole-5-thione Traditional Name: 1-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-phenyl-tetrazole-5-thione Formula: C20H25N6O2S2+ MolecularWeight: 445.5815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)N(N=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)N(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H24N6O2S2/c1-16-8-9-17(2)19(14-16)30(27,28)24-12-10-23(11-13-24)15-25-20(29)26(22-21-25)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3/p+1