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

Systemtic Name: 5-(2-isothiocyanatoethyl)-4-phenyl-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole Openeye Name: 5-(2-isothiocyanatoethyl)-4-phenyl-3-[2-(trifluoromethyl)phenyl]-4,5-dihydroisoxazole CAS Name: 5-(2-isothiocyanatoethyl)-4-phenyl-3-[2-(trifluoromethyl)phenyl]-4,5-dihydroisoxazole IUPAC Name: 5-(2-isothiocyanatoethyl)-4-phenyl-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole Traditional Name: 5-(2-isothiocyanatoethyl)-4-phenyl-3-[2-(trifluoromethyl)phenyl]-2-isoxazoline Formula: C19H15F3N2OS MolecularWeight: 376.39541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(ON=C2C3=CC=CC=C3C(F)(F)F)CCN=C=S

Isomeric SMILES

C1=CC=C(C=C1)C2C(ON=C2C3=CC=CC=C3C(F)(F)F)CCN=C=S

InChI

InChI=1S/C19H15F3N2OS/c20-19(21,22)15-9-5-4-8-14(15)18-17(13-6-2-1-3-7-13)16(25-24-18)10-11-23-12-26/h1-9,16-17H,10-11H2