2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]pyrimidin-4-olate Openeye Name: 2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]pyrimidin-4-olate CAS Name: 2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylthio]-4-pyrimidinolate IUPAC Name: 2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]pyrimidin-4-olate Traditional Name: 2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylthio]pyrimidin-4-olate Formula: C13H8FN4O2S- MolecularWeight: 303.291623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NO2)CSC3=NC=CC(=N3)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NO2)CSC3=NC=CC(=N3)[O-])F

InChI

InChI=1S/C13H9FN4O2S/c14-9-3-1-8(2-4-9)12-16-10(18-20-12)7-21-13-15-6-5-11(19)17-13/h1-6H,7H2,(H,15,17,19)/p-1