3-(4-fluorophenyl)-5-(isothiocyanatomethyl)-1,2-oxazole

Systemtic Name: 3-(4-fluorophenyl)-5-(isothiocyanatomethyl)-1,2-oxazole Openeye Name: 3-(4-fluorophenyl)-5-(isothiocyanatomethyl)isoxazole CAS Name: 3-(4-fluorophenyl)-5-(isothiocyanatomethyl)isoxazole IUPAC Name: 3-(4-fluorophenyl)-5-(isothiocyanatomethyl)-1,2-oxazole Traditional Name: 3-(4-fluorophenyl)-5-(isothiocyanatomethyl)isoxazole Formula: C11H7FN2OS MolecularWeight: 234.249483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NOC(=C2)CN=C=S)F

Isomeric SMILES

C1=CC(=CC=C1C2=NOC(=C2)CN=C=S)F

InChI

InChI=1S/C11H7FN2OS/c12-9-3-1-8(2-4-9)11-5-10(15-14-11)6-13-7-16/h1-5H,6H2