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

Systemtic Name: 4-(3-methoxyphenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(3-methoxyphenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-(3-methoxyphenyl)-2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(3-methoxyphenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(3-methoxyphenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2S/c1-27-19-8-6-17(7-9-19)24-12-10-23(11-13-24)16-26-21(29)25(15-22-26)18-4-3-5-20(14-18)28-2/h3-9,14-15H,10-13,16H2,1-2H3/p+1