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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[4-nitro-2-(trifluoromethyl)phenyl]thiourea Formula: C15H11F4N3O2S MolecularWeight: 373.325353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)F

InChI

InChI=1S/C15H11F4N3O2S/c16-10-3-1-9(2-4-10)8-20-14(25)21-13-6-5-11(22(23)24)7-12(13)15(17,18)19/h1-7H,8H2,(H2,20,21,25)