1-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-(2-bromo-4,6-difluoro-phenyl)-3-(3-nitrophenyl)thiourea CAS Name: 1-(2-bromo-4,6-difluorophenyl)-3-(3-nitrophenyl)thiourea IUPAC Name: 1-(2-bromo-4,6-difluorophenyl)-3-(3-nitrophenyl)thiourea Traditional Name: 1-(2-bromo-4,6-difluoro-phenyl)-3-(3-nitrophenyl)thiourea Formula: C13H8BrF2N3O2S MolecularWeight: 388.187326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC2=C(C=C(C=C2Br)F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC2=C(C=C(C=C2Br)F)F

InChI

InChI=1S/C13H8BrF2N3O2S/c14-10-4-7(15)5-11(16)12(10)18-13(22)17-8-2-1-3-9(6-8)19(20)21/h1-6H,(H2,17,18,22)