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

Systemtic Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=CC=CC=C4)CC=C

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=CC=CC=C4)CC=C

InChI

InChI=1S/C23H27N5OS/c1-3-13-27-22(19-7-5-4-6-8-19)24-28(23(27)30)18-25-14-16-26(17-15-25)20-9-11-21(29-2)12-10-20/h3-12H,1,13-18H2,2H3/p+1