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

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-(3,4-difluorophenyl)-3-(3-nitrophenyl)thiourea CAS Name: 1-(3,4-difluorophenyl)-3-(3-nitrophenyl)thiourea IUPAC Name: 1-(3,4-difluorophenyl)-3-(3-nitrophenyl)thiourea Traditional Name: 1-(3,4-difluorophenyl)-3-(3-nitrophenyl)thiourea Formula: C13H9F2N3O2S MolecularWeight: 309.291266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9F2N3O2S/c14-11-5-4-9(7-12(11)15)17-13(21)16-8-2-1-3-10(6-8)18(19)20/h1-7H,(H2,16,17,21)