1-(4-ethanoylphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(4-ethanoylphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(4-acetylphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(4-acetylphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(4-acetylphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(4-acetylphenyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Formula: C16H12F3N3O3S MolecularWeight: 383.34499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H12F3N3O3S/c1-9(23)10-2-4-11(5-3-10)20-15(26)21-14-7-6-12(22(24)25)8-13(14)16(17,18)19/h2-8H,1H3,(H2,20,21,26)