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

Systemtic Name: 4-(4-methoxyphenyl)-3-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-methoxyphenyl)-3-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-methoxyphenyl)-3-[2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-methoxyphenyl)-3-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-methoxyphenyl)-3-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-1H-1,2,4-triazole-5-thione Formula: C16H25N5OS+2 MolecularWeight: 335.4676

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCC2=NNC(=S)N2C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCC2=NNC(=S)N2C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H23N5OS/c1-19-9-11-20(12-10-19)8-7-15-17-18-16(23)21(15)13-3-5-14(22-2)6-4-13/h3-6H,7-12H2,1-2H3,(H,18,23)/p+2