[(1S)-1-[3-fluoranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[3-fluoranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]ethyl]azanium Openeye Name: [(1S)-1-[3-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]ethyl]ammonium CAS Name: [(1S)-1-[3-fluoro-4-[(1-methyl-2-imidazolyl)thio]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[3-fluoro-4-(1-methylimidazol-2-yl)sulfanylphenyl]ethyl]azanium Traditional Name: [(1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)thio]phenyl]ethyl]ammonium Formula: C12H15FN3S+ MolecularWeight: 252.331003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)SC2=NC=CN2C)F)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)SC2=NC=CN2C)F)[NH3+]

InChI

InChI=1S/C12H14FN3S/c1-8(14)9-3-4-11(10(13)7-9)17-12-15-5-6-16(12)2/h3-8H,14H2,1-2H3/p+1/t8-/m0/s1