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

Systemtic Name: 2-[(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C17H17N5O4S MolecularWeight: 387.41298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)S[C@H](C)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4S/c1-3-4-12-9-14(23)19-17(18-12)27-10(2)15-20-21-16(26-15)11-5-7-13(8-6-11)22(24)25/h5-10H,3-4H2,1-2H3,(H,18,19,23)/t10-/m1/s1