2-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]ethylazanium

Systemtic Name: 2-[(5-cyano-2-fluoranyl-phenyl)methylsulfanyl]ethylazanium Openeye Name: 2-[(5-cyano-2-fluoro-phenyl)methylsulfanyl]ethylammonium CAS Name: 2-[(5-cyano-2-fluorophenyl)methylthio]ethylammonium IUPAC Name: 2-[(5-cyano-2-fluorophenyl)methylsulfanyl]ethylazanium Traditional Name: 2-[(5-cyano-2-fluoro-benzyl)thio]ethylammonium Formula: C10H12FN2S+ MolecularWeight: 211.279083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)CSCC[NH3+])F

Isomeric SMILES

C1=CC(=C(C=C1C#N)CSCC[NH3+])F

InChI

InChI=1S/C10H11FN2S/c11-10-2-1-8(6-13)5-9(10)7-14-4-3-12/h1-2,5H,3-4,7,12H2/p+1