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

Systemtic Name: 2-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4,5-dicyclopropyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4,5-dicyclopropyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-4,5-dicyclopropyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-4,5-dicyclopropyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4,5-dicyclopropyl-1,2,4-triazole-3-thione Formula: C20H27ClN5S+ MolecularWeight: 404.97988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4CC4)C5CC5

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4CC4)C5CC5

InChI

InChI=1S/C20H26ClN5S/c1-14-2-5-16(21)12-18(14)24-10-8-23(9-11-24)13-25-20(27)26(17-6-7-17)19(22-25)15-3-4-15/h2,5,12,15,17H,3-4,6-11,13H2,1H3/p+1