(4-azanyl-5-fluoranyl-2-pyridin-2-ylcarbonyl-phenyl) thiocyanate

Systemtic Name: (4-azanyl-5-fluoranyl-2-pyridin-2-ylcarbonyl-phenyl) thiocyanate Openeye Name: [4-amino-5-fluoro-2-(pyridine-2-carbonyl)phenyl] thiocyanate CAS Name: thiocyanic acid [4-amino-5-fluoro-2-[oxo(2-pyridinyl)methyl]phenyl] ester IUPAC Name: [4-amino-5-fluoro-2-(pyridine-2-carbonyl)phenyl] thiocyanate Traditional Name: thiocyanic acid (4-amino-5-fluoro-2-picolinoyl-phenyl) ester Formula: C13H8FN3OS MolecularWeight: 273.285523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(=O)C2=CC(=C(C=C2SC#N)F)N

Isomeric SMILES

C1=CC=NC(=C1)C(=O)C2=CC(=C(C=C2SC#N)F)N

InChI

InChI=1S/C13H8FN3OS/c14-9-6-12(19-7-15)8(5-10(9)16)13(18)11-3-1-2-4-17-11/h1-6H,16H2