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

Systemtic Name: 5-(4-chlorophenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(4-chlorophenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(4-chlorophenyl)-3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(4-chlorophenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(4-chlorophenyl)-3-[[4-(2-pyrimidyl)piperazino]methyl]-1,3,4-oxadiazole-2-thione Formula: C17H17ClN6OS MolecularWeight: 388.87448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)OC(=N2)C3=CC=C(C=C3)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CN2C(=S)OC(=N2)C3=CC=C(C=C3)Cl)C4=NC=CC=N4

InChI

InChI=1S/C17H17ClN6OS/c18-14-4-2-13(3-5-14)15-21-24(17(26)25-15)12-22-8-10-23(11-9-22)16-19-6-1-7-20-16/h1-7H,8-12H2