5-(2,4-dimethoxyphenyl)-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(2,4-dimethoxyphenyl)-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(2,4-dimethoxyphenyl)-3-[[4-(4-pyridyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(2,4-dimethoxyphenyl)-3-[(4-pyridin-4-yl-1-piperazinyl)methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(2,4-dimethoxyphenyl)-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(2,4-dimethoxyphenyl)-3-[[4-(4-pyridyl)piperazino]methyl]-1,3,4-oxadiazole-2-thione Formula: C20H23N5O3S MolecularWeight: 413.49332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C(=S)O2)CN3CCN(CC3)C4=CC=NC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C(=S)O2)CN3CCN(CC3)C4=CC=NC=C4)OC

InChI

InChI=1S/C20H23N5O3S/c1-26-16-3-4-17(18(13-16)27-2)19-22-25(20(29)28-19)14-23-9-11-24(12-10-23)15-5-7-21-8-6-15/h3-8,13H,9-12,14H2,1-2H3