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

Systemtic Name: 4-cyclopropyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C21H24FN6S+ MolecularWeight: 411.518863

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C5=CN=CC=C5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C5=CN=CC=C5

InChI

InChI=1S/C21H23FN6S/c22-17-3-5-18(6-4-17)26-12-10-25(11-13-26)15-27-21(29)28(19-7-8-19)20(24-27)16-2-1-9-23-14-16/h1-6,9,14,19H,7-8,10-13,15H2/p+1