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

Systemtic Name: 5-cyclopropyl-4-ethyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-4-ethyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-4-ethyl-2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-4-ethyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-4-ethyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C18H25FN5S+ MolecularWeight: 362.488003

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C4CC4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C4CC4

InChI

InChI=1S/C18H24FN5S/c1-2-23-17(14-3-4-14)20-24(18(23)25)13-21-9-11-22(12-10-21)16-7-5-15(19)6-8-16/h5-8,14H,2-4,9-13H2,1H3/p+1