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

Systemtic Name: 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C16H15BrN4O2S MolecularWeight: 407.2849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN4O2S/c1-2-4-12-8-13(22)19-16(18-12)24-9-14-20-15(21-23-14)10-5-3-6-11(17)7-10/h3,5-8H,2,4,9H2,1H3,(H,18,19,22)