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

Systemtic Name: 5-tert-butyl-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-tert-butyl-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-tert-butyl-2-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-tert-butyl-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-tert-butyl-2-[[4-(4-methoxyphenyl)piperazino]methyl]-1H-1,2,4-triazole-3-thione Formula: C18H27N5OS MolecularWeight: 361.50488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)CN2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)CN2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H27N5OS/c1-18(2,3)16-19-17(25)23(20-16)13-21-9-11-22(12-10-21)14-5-7-15(24-4)8-6-14/h5-8H,9-13H2,1-4H3,(H,19,20,25)