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

Systemtic Name: 4,5-dicyclopropyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4,5-dicyclopropyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4,5-dicyclopropyl-2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4,5-dicyclopropyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4,5-dicyclopropyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C20H28N5OS+ MolecularWeight: 386.53422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4CC4)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4CC4)C5CC5

InChI

InChI=1S/C20H27N5OS/c1-26-18-8-6-16(7-9-18)23-12-10-22(11-13-23)14-24-20(27)25(17-4-5-17)19(21-24)15-2-3-15/h6-9,15,17H,2-5,10-14H2,1H3/p+1