2-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Formula: C22H29N5OS+2 MolecularWeight: 411.56356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CN3C(=S)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CN3C(=S)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5OS/c1-17-8-9-20(28-2)19(14-17)15-25-10-12-26(13-11-25)16-27-22(29)23-21(24-27)18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,24,29)/p+2