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

Systemtic Name: 4-(2-methoxyphenyl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-(2-methoxyphenyl)-2-[[4-(4-pyridylmethyl)piperazin-1-yl]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 4-(2-methoxyphenyl)-2-[[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(2-methoxyphenyl)-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-(2-methoxyphenyl)-2-[[4-(4-pyridylmethyl)piperazino]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C24H26N6OS2 MolecularWeight: 478.63284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN(C2=S)CN3CCN(CC3)CC4=CC=NC=C4)C5=CC=CS5

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN(C2=S)CN3CCN(CC3)CC4=CC=NC=C4)C5=CC=CS5

InChI

InChI=1S/C24H26N6OS2/c1-31-21-6-3-2-5-20(21)30-23(22-7-4-16-33-22)26-29(24(30)32)18-28-14-12-27(13-15-28)17-19-8-10-25-11-9-19/h2-11,16H,12-15,17-18H2,1H3