N-(4-fluoranyl-5-isothiocyanato-2-oxidanyl-phenyl)ethanamide

Systemtic Name: N-(4-fluoranyl-5-isothiocyanato-2-oxidanyl-phenyl)ethanamide Openeye Name: N-(4-fluoro-2-hydroxy-5-isothiocyanato-phenyl)acetamide CAS Name: N-(4-fluoro-2-hydroxy-5-isothiocyanatophenyl)acetamide IUPAC Name: N-(4-fluoro-2-hydroxy-5-isothiocyanatophenyl)acetamide Traditional Name: N-(4-fluoro-2-hydroxy-5-isothiocyanato-phenyl)acetamide Formula: C9H7FN2O2S MolecularWeight: 226.227483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1)N=C=S)F)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1)N=C=S)F)O

InChI

InChI=1S/C9H7FN2O2S/c1-5(13)12-8-3-7(11-4-15)6(10)2-9(8)14/h2-3,14H,1H3,(H,12,13)