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

Systemtic Name: 5-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[2-(4-methyl-1-piperazin-1-iumyl)ethyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C15H21N5S MolecularWeight: 303.42574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N5S/c1-18-9-11-19(12-10-18)8-7-14-16-17-15(21)20(14)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,17,21)