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

Systemtic Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione Formula: C22H25FN5S+ MolecularWeight: 410.530803

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H24FN5S/c1-2-12-27-21(18-6-4-3-5-7-18)24-28(22(27)29)17-25-13-15-26(16-14-25)20-10-8-19(23)9-11-20/h2-11H,1,12-17H2/p+1