2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-4-methyl-2-[(4-p-anisylpiperazine-1,4-diium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C23H31N5OS+2 MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N5OS/c1-25-22(16-19-6-4-3-5-7-19)24-28(23(25)30)18-27-14-12-26(13-15-27)17-20-8-10-21(29-2)11-9-20/h3-11H,12-18H2,1-2H3/p+2