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

Systemtic Name: 5-tert-butyl-2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-tert-butyl-2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-tert-butyl-2-[[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-tert-butyl-2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-tert-butyl-2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Formula: C17H25FN5O2S2+ MolecularWeight: 414.541103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H24FN5O2S2/c1-17(2,3)15-19-16(26)23(20-15)12-21-8-10-22(11-9-21)27(24,25)14-6-4-13(18)5-7-14/h4-7H,8-12H2,1-3H3,(H,19,20,26)/p+1