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

Systemtic Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-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:

C=CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C4=CN=CC=C4

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C4=CN=CC=C4

InChI

InChI=1S/C21H23FN6S/c1-2-10-27-20(17-4-3-9-23-15-17)24-28(21(27)29)16-25-11-13-26(14-12-25)19-7-5-18(22)6-8-19/h2-9,15H,1,10-14,16H2/p+1