1-(4-ethoxy-2-nitro-phenyl)-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiourea

Systemtic Name: 1-(4-ethoxy-2-nitro-phenyl)-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiourea Openeye Name: 1-(4-ethoxy-2-nitro-phenyl)-3-[3-(trifluoromethyl)isoxazol-5-yl]thiourea CAS Name: 1-(4-ethoxy-2-nitrophenyl)-3-[3-(trifluoromethyl)-5-isoxazolyl]thiourea IUPAC Name: 1-(4-ethoxy-2-nitrophenyl)-3-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiourea Traditional Name: 1-(4-ethoxy-2-nitro-phenyl)-3-[3-(trifluoromethyl)isoxazol-5-yl]thiourea Formula: C13H11F3N4O4S MolecularWeight: 376.31105

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=S)NC2=CC(=NO2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=S)NC2=CC(=NO2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H11F3N4O4S/c1-2-23-7-3-4-8(9(5-7)20(21)22)17-12(25)18-11-6-10(19-24-11)13(14,15)16/h3-6H,2H2,1H3,(H2,17,18,25)