1-methyl-4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1,2,3,4-tetrazole-5-thione

Systemtic Name: 1-methyl-4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-methyl-4-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]methyl]tetrazole-5-thione CAS Name: 1-methyl-4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-5-tetrazolethione IUPAC Name: 1-methyl-4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]tetrazole-5-thione Traditional Name: 1-methyl-4-[(4-tosyl-1,4-diazepan-1-ium-1-yl)methyl]tetrazole-5-thione Formula: C15H23N6O2S2+ MolecularWeight: 383.51212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CN3C(=S)N(N=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CN3C(=S)N(N=N3)C

InChI

InChI=1S/C15H22N6O2S2/c1-13-4-6-14(7-5-13)25(22,23)20-9-3-8-19(10-11-20)12-21-15(24)18(2)16-17-21/h4-7H,3,8-12H2,1-2H3/p+1