5-tert-butyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-tert-butyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-tert-butyl-2-[[4-(o-tolyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-tert-butyl-2-[[4-(2-methylphenyl)-1-piperazinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-tert-butyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-tert-butyl-2-[[4-(o-tolyl)piperazino]methyl]-1H-1,2,4-triazole-3-thione Formula: C18H27N5S MolecularWeight: 345.50548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N=C(N3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N=C(N3)C(C)(C)C

InChI

InChI=1S/C18H27N5S/c1-14-7-5-6-8-15(14)22-11-9-21(10-12-22)13-23-17(24)19-16(20-23)18(2,3)4/h5-8H,9-13H2,1-4H3,(H,19,20,24)