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

Systemtic Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C14H19FN5S+ MolecularWeight: 308.397563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18FN5S/c1-17-10-16-20(14(17)21)11-18-6-8-19(9-7-18)13-4-2-12(15)3-5-13/h2-5,10H,6-9,11H2,1H3/p+1