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

Systemtic Name: 4-(3-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-(m-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(3-methylphenyl)-5-[(4-methyl-1-piperazin-4-iumyl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-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-(m-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=C1)N2C(=NN=C2[S-])CN3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2[S-])CN3CC[NH+](CC3)C

InChI

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