5-(2-isothiocyanatoethyl)-3-phenyl-4,5-dihydro-1,2-oxazole

Systemtic Name: 5-(2-isothiocyanatoethyl)-3-phenyl-4,5-dihydro-1,2-oxazole Openeye Name: 5-(2-isothiocyanatoethyl)-3-phenyl-4,5-dihydroisoxazole CAS Name: 5-(2-isothiocyanatoethyl)-3-phenyl-4,5-dihydroisoxazole IUPAC Name: 5-(2-isothiocyanatoethyl)-3-phenyl-4,5-dihydro-1,2-oxazole Traditional Name: 5-(2-isothiocyanatoethyl)-3-phenyl-2-isoxazoline Formula: C12H12N2OS MolecularWeight: 232.30148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC=CC=C2)CCN=C=S

Isomeric SMILES

C1C(ON=C1C2=CC=CC=C2)CCN=C=S

InChI

InChI=1S/C12H12N2OS/c16-9-13-7-6-11-8-12(14-15-11)10-4-2-1-3-5-10/h1-5,11H,6-8H2