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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NC(=NO2)C3=CC=CC=C3C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NC(=NO2)C3=CC=CC=C3C

InChI

InChI=1S/C17H18N4O2S/c1-3-6-12-9-14(22)19-17(18-12)24-10-15-20-16(21-23-15)13-8-5-4-7-11(13)2/h4-5,7-9H,3,6,10H2,1-2H3,(H,18,19,22)