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

Systemtic Name: 5-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-naphthalen-1-yl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-(1-naphthyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-(1-naphthalenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-naphthalen-1-yl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-(1-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=CC=CC4=CC=CC=C43)[S-]

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=NN=C(N2C3=CC=CC4=CC=CC=C43)[S-]

InChI

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