2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-phenethyl-5-(2-thenyl)-1,2,4-triazole-3-thione Formula: C27H32N5OS2+ MolecularWeight: 506.70588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)CC4=CC=CS4)CCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)CC4=CC=CS4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H31N5OS2/c1-33-24-11-9-23(10-12-24)30-17-15-29(16-18-30)21-32-27(34)31(14-13-22-6-3-2-4-7-22)26(28-32)20-25-8-5-19-35-25/h2-12,19H,13-18,20-21H2,1H3/p+1