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

Systemtic Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione Formula: C18H22N5OS2+ MolecularWeight: 388.53018

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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=CS4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=S)N=C(N3)C4=CC=CS4

InChI

InChI=1S/C18H21N5OS2/c1-24-15-6-4-14(5-7-15)22-10-8-21(9-11-22)13-23-18(25)19-17(20-23)16-3-2-12-26-16/h2-7,12H,8-11,13H2,1H3,(H,19,20,25)/p+1