[azanyl-[4-[[(2S)-butan-2-yl]sulfanylmethyl]-3-fluoranyl-phenyl]methylidene]azanium

Systemtic Name: [azanyl-[4-[[(2S)-butan-2-yl]sulfanylmethyl]-3-fluoranyl-phenyl]methylidene]azanium Openeye Name: [amino-[3-fluoro-4-[[(1S)-1-methylpropyl]sulfanylmethyl]phenyl]methylene]ammonium CAS Name: [amino-[4-[[[(2S)-butan-2-yl]thio]methyl]-3-fluorophenyl]methylidene]ammonium IUPAC Name: [amino-[4-[[(2S)-butan-2-yl]sulfanylmethyl]-3-fluorophenyl]methylidene]azanium Traditional Name: [amino-[3-fluoro-4-[[[(1S)-1-methylpropyl]thio]methyl]phenyl]methylene]ammonium Formula: C12H18FN2S+ MolecularWeight: 241.348123

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC1=C(C=C(C=C1)C(=[NH2+])N)F

Isomeric SMILES

CC[C@H](C)SCC1=C(C=C(C=C1)C(=[NH2+])N)F

InChI

InChI=1S/C12H17FN2S/c1-3-8(2)16-7-10-5-4-9(12(14)15)6-11(10)13/h4-6,8H,3,7H2,1-2H3,(H3,14,15)/p+1/t8-/m0/s1