5-(4-methylphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-methylphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(p-tolyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-methylphenyl)-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methylphenyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(p-tolyl)-1H-1,2,4-triazole-3-thione Formula: C20H24N5S+ MolecularWeight: 366.50306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H23N5S/c1-16-7-9-17(10-8-16)19-21-20(26)25(22-19)15-23-11-13-24(14-12-23)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,21,22,26)/p+1