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

Systemtic Name: 4-methyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione Formula: C20H23N6O2S+ MolecularWeight: 411.50062

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)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O2S/c1-22-19(16-5-3-2-4-6-16)21-25(20(22)29)15-23-11-13-24(14-12-23)17-7-9-18(10-8-17)26(27)28/h2-10H,11-15H2,1H3/p+1