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

Systemtic Name: 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 6-propyl-2-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 6-propyl-2-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methylthio]-1H-pyrimidin-4-one Formula: C17H18N4O2S MolecularWeight: 342.41542

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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O2S/c1-3-4-13-9-14(22)19-17(18-13)24-10-15-20-16(21-23-15)12-7-5-11(2)6-8-12/h5-9H,3-4,10H2,1-2H3,(H,18,19,22)