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

Systemtic Name: 5-tert-butyl-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-tert-butyl-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-tert-butyl-2-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-tert-butyl-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-tert-butyl-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Formula: C17H25FN5S+ MolecularWeight: 350.477303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)C[NH+]2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)C[NH+]2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C17H24FN5S/c1-17(2,3)15-19-16(24)23(20-15)12-21-8-10-22(11-9-21)14-7-5-4-6-13(14)18/h4-7H,8-12H2,1-3H3,(H,19,20,24)/p+1