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

Systemtic Name: 2-[(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C17H16N5O4S- MolecularWeight: 386.40504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC1=CC(=NC(=N1)S[C@H](C)C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[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)/p-1/t10-/m1/s1