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

Systemtic Name: 4-(3-cyanophenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-cyanophenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(3-cyanophenyl)-5-[(4-methyl-1-piperazin-4-iumyl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-cyanophenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-cyanophenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thiolate Formula: C15H18N6S MolecularWeight: 314.40862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N6S/c1-19-5-7-20(8-6-19)11-14-17-18-15(22)21(14)13-4-2-3-12(9-13)10-16/h2-4,9H,5-8,11H2,1H3,(H,18,22)