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

Systemtic Name: 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C16H15N5O4S MolecularWeight: 373.3864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O4S/c1-2-3-11-8-13(22)18-16(17-11)26-9-14-19-20-15(25-14)10-4-6-12(7-5-10)21(23)24/h4-8H,2-3,9H2,1H3,(H,17,18,22)