[(1S)-1-(3-fluoranyl-4-pyrimidin-2-ylsulfanyl-phenyl)ethyl]azanium

Systemtic Name: [(1S)-1-(3-fluoranyl-4-pyrimidin-2-ylsulfanyl-phenyl)ethyl]azanium Openeye Name: [(1S)-1-(3-fluoro-4-pyrimidin-2-ylsulfanyl-phenyl)ethyl]ammonium CAS Name: [(1S)-1-[3-fluoro-4-(2-pyrimidinylthio)phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-(3-fluoro-4-pyrimidin-2-ylsulfanylphenyl)ethyl]azanium Traditional Name: [(1S)-1-[3-fluoro-4-(2-pyrimidylthio)phenyl]ethyl]ammonium Formula: C12H13FN3S+ MolecularWeight: 250.315123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12FN3S/c1-8(14)9-3-4-11(10(13)7-9)17-12-15-5-2-6-16-12/h2-8H,14H2,1H3/p+1/t8-/m0/s1