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

Systemtic Name: 5-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-isopropyl-5-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-isopropyl-5-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C24H31N5O2S MolecularWeight: 453.60024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN(C1=S)CN2CCN(CC2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)N1C(=NN(C1=S)CN2CCN(CC2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H31N5O2S/c1-18(2)29-23(19-5-9-21(30-3)10-6-19)25-28(24(29)32)17-26-13-15-27(16-14-26)20-7-11-22(31-4)12-8-20/h5-12,18H,13-17H2,1-4H3