2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-methyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1H-1,2,4-triazole-3-thione Formula: C14H19BrN5O2S2+ MolecularWeight: 433.36696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=S)N(N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=NC(=S)N(N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C14H18BrN5O2S2/c1-11-16-14(23)20(17-11)10-18-5-7-19(8-6-18)24(21,22)13-4-2-3-12(15)9-13/h2-4,9H,5-8,10H2,1H3,(H,16,17,23)/p+1