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

Systemtic Name: 4-(3-methoxyphenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-methoxyphenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(3-methoxyphenyl)-5-[(4-methyl-1-piperazin-4-iumyl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-methoxyphenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-methoxyphenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thiolate Formula: C15H21N5OS MolecularWeight: 319.42514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N5OS/c1-18-6-8-19(9-7-18)11-14-16-17-15(22)20(14)12-4-3-5-13(10-12)21-2/h3-5,10H,6-9,11H2,1-2H3,(H,17,22)