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

Systemtic Name: 5-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-naphthalen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-(2-naphthyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-(2-naphthalenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-naphthalen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-(2-naphthyl)-1,2,4-triazole-3-thiolate Formula: C18H21N5S MolecularWeight: 339.45784

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=NN=C(N2C3=CC4=CC=CC=C4C=C3)[S-]

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=NN=C(N2C3=CC4=CC=CC=C4C=C3)[S-]

InChI

InChI=1S/C18H21N5S/c1-21-8-10-22(11-9-21)13-17-19-20-18(24)23(17)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12H,8-11,13H2,1H3,(H,20,24)