[(1S)-2-azanyl-1-(2-chloranyl-6-fluoranyl-phenyl)-2-sulfanylidene-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-azanyl-1-(2-chloranyl-6-fluoranyl-phenyl)-2-sulfanylidene-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-amino-1-(2-chloro-6-fluoro-phenyl)-2-thioxo-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-amino-1-(2-chloro-6-fluorophenyl)-2-sulfanylideneethyl]-diethylammonium IUPAC Name: [(1S)-2-amino-1-(2-chloro-6-fluorophenyl)-2-sulfanylideneethyl]-diethylazanium Traditional Name: [(1S)-2-amino-1-(2-chloro-6-fluoro-phenyl)-2-thioxo-ethyl]-diethyl-ammonium Formula: C12H17ClFN2S+ MolecularWeight: 275.793183

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C1=C(C=CC=C1Cl)F)C(=S)N

Isomeric SMILES

CC[NH+](CC)[C@@H](C1=C(C=CC=C1Cl)F)C(=S)N

InChI

InChI=1S/C12H16ClFN2S/c1-3-16(4-2)11(12(15)17)10-8(13)6-5-7-9(10)14/h5-7,11H,3-4H2,1-2H3,(H2,15,17)/p+1/t11-/m0/s1