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

Systemtic Name: 4-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(4-methoxyphenyl)-5-[2-(4-methyl-1-piperazin-1-iumyl)ethyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-1,2,4-triazole-3-thiolate Formula: C16H23N5OS MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)