1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C15H11F4N3O3S MolecularWeight: 389.324753

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)F

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)F

InChI

InChI=1S/C15H11F4N3O3S/c1-25-13-7-9(22(23)24)3-5-11(13)20-14(26)21-12-6-8(15(17,18)19)2-4-10(12)16/h2-7H,1H3,(H2,20,21,26)