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

Systemtic Name: 5-(furan-2-yl)-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(2-furyl)-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-(2-furanyl)-2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(furan-2-yl)-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-(2-furyl)-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C24H26N5O2S+ MolecularWeight: 448.56054

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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=CO4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C24H25N5O2S/c1-30-21-11-9-19(10-12-21)27-15-13-26(14-16-27)18-28-24(32)29(20-6-3-2-4-7-20)23(25-28)22-8-5-17-31-22/h2-12,17H,13-16,18H2,1H3/p+1