5-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-4-(4-nitrophenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-4-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-4-(4-nitrophenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[2-(4-methyl-1-piperazin-1-iumyl)ethyl]-4-(4-nitrophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-4-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-4-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Formula: C15H20N6O2S MolecularWeight: 348.4233

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CCC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])[S-]

Isomeric SMILES

CN1CC[NH+](CC1)CCC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])[S-]

InChI

InChI=1S/C15H20N6O2S/c1-18-8-10-19(11-9-18)7-6-14-16-17-15(24)20(14)12-2-4-13(5-3-12)21(22)23/h2-5H,6-11H2,1H3,(H,17,24)