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

Systemtic Name: 4,5-dicyclopropyl-2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4,5-dicyclopropyl-2-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4,5-dicyclopropyl-2-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4,5-dicyclopropyl-2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4,5-dicyclopropyl-2-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C20H28N5S+ MolecularWeight: 370.53482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5S/c1-15-3-2-4-18(13-15)23-11-9-22(10-12-23)14-24-20(26)25(17-7-8-17)19(21-24)16-5-6-16/h2-4,13,16-17H,5-12,14H2,1H3/p+1