N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C14H8FN5O7S MolecularWeight: 409.306023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8FN5O7S/c15-11-2-1-8(18(22)23)6-12(11)16-14(28)17-13(21)7-3-9(19(24)25)5-10(4-7)20(26)27/h1-6H,(H2,16,17,21,28)