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

Systemtic Name: 5-(4-methoxyphenyl)-4-phenyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(4-methoxyphenyl)-4-phenyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-4-phenyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-4-phenyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(4-methoxyphenyl)-4-phenyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C26H28N5OS+ MolecularWeight: 458.59842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N5OS/c1-32-24-14-12-21(13-15-24)25-27-30(26(33)31(25)23-10-6-3-7-11-23)20-28-16-18-29(19-17-28)22-8-4-2-5-9-22/h2-15H,16-20H2,1H3/p+1