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

Systemtic Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Formula: C20H23FN5S+ MolecularWeight: 384.493523

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3F)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3F)C4=CC=CC=C4

InChI

InChI=1S/C20H22FN5S/c1-23-19(16-7-3-2-4-8-16)22-26(20(23)27)15-24-11-13-25(14-12-24)18-10-6-5-9-17(18)21/h2-10H,11-15H2,1H3/p+1