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

Systemtic Name: 5-tert-butyl-2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-tert-butyl-2-[[4-(m-tolyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-tert-butyl-2-[[4-(3-methylphenyl)-1-piperazinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-tert-butyl-2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-tert-butyl-2-[[4-(m-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=C1)N2CCN(CC2)CN3C(=S)N=C(N3)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CN3C(=S)N=C(N3)C(C)(C)C

InChI

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