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

Systemtic Name: 4,5-dicyclopropyl-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4,5-dicyclopropyl-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4,5-dicyclopropyl-2-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4,5-dicyclopropyl-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4,5-dicyclopropyl-2-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C21H30N5OS+ MolecularWeight: 400.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4CC4)C5CC5

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4CC4)C5CC5

InChI

InChI=1S/C21H29N5OS/c1-2-27-19-6-4-3-5-18(19)24-13-11-23(12-14-24)15-25-21(28)26(17-9-10-17)20(22-25)16-7-8-16/h3-6,16-17H,2,7-15H2,1H3/p+1