2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C16H15ClN4O2S MolecularWeight: 362.8339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NC(=NO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NC(=NO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H15ClN4O2S/c1-2-3-12-8-13(22)19-16(18-12)24-9-14-20-15(21-23-14)10-4-6-11(17)7-5-10/h4-8H,2-3,9H2,1H3,(H,18,19,22)