2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-isopropyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-isopropyl-1,2,4-triazole-3-thione Formula: C16H23FN5S+ MolecularWeight: 336.450723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CC(C)N1C=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C16H22FN5S/c1-13(2)21-11-18-22(16(21)23)12-19-7-9-20(10-8-19)15-6-4-3-5-14(15)17/h3-6,11,13H,7-10,12H2,1-2H3/p+1