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

Systemtic Name: 4-(2-methylphenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-(o-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2-methylphenyl)-5-[(4-methyl-1-piperazin-4-iumyl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2-methylphenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-(o-tolyl)-1,2,4-triazole-3-thiolate Formula: C15H21N5S MolecularWeight: 303.42574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2[S-])CN3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2[S-])CN3CC[NH+](CC3)C

InChI

InChI=1S/C15H21N5S/c1-12-5-3-4-6-13(12)20-14(16-17-15(20)21)11-19-9-7-18(2)8-10-19/h3-6H,7-11H2,1-2H3,(H,17,21)