1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2,4-dinitrophenyl)amino]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2,4-dinitrophenyl)amino]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(2,4-dinitroanilino)thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(2,4-dinitroanilino)thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(2,4-dinitroanilino)thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(2,4-dinitroanilino)thiourea Formula: C13H9ClFN5O4S MolecularWeight: 385.758063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=S)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=S)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl)F

InChI

InChI=1S/C13H9ClFN5O4S/c14-9-5-7(1-3-10(9)15)16-13(25)18-17-11-4-2-8(19(21)22)6-12(11)20(23)24/h1-6,17H,(H2,16,18,25)