3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-naphthalen-2-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-naphthalen-2-yl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-(2-naphthyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-4-(2-naphthalenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-naphthalen-2-yl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-(2-naphthyl)-1H-1,2,4-triazole-5-thione Formula: C18H23N5S+2 MolecularWeight: 341.47372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/p+2