2-[4-[(1S)-1-azaniumylethyl]-2-fluoranyl-phenyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[4-[(1S)-1-azaniumylethyl]-2-fluoranyl-phenyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[4-[(1S)-1-azaniumylethyl]-2-fluoro-phenyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[4-[(1S)-1-ammonioethyl]-2-fluorophenyl]thio]-4-pyrimidinolate IUPAC Name: 2-[4-[(1S)-1-azaniumylethyl]-2-fluorophenyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[4-[(1S)-1-ammonioethyl]-2-fluoro-phenyl]thio]pyrimidin-4-olate Formula: C12H12FN3OS MolecularWeight: 265.306583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)SC2=NC=CC(=N2)[O-])F)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)SC2=NC=CC(=N2)[O-])F)[NH3+]

InChI

InChI=1S/C12H12FN3OS/c1-7(14)8-2-3-10(9(13)6-8)18-12-15-5-4-11(17)16-12/h2-7H,14H2,1H3,(H,15,16,17)/t7-/m0/s1