(E)-N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide Openeye Name: (E)-N-[(3-chloro-2-hydroxy-5-nitro-phenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide CAS Name: (E)-N-[(3-chloro-2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-3-(4-fluorophenyl)-2-propenamide IUPAC Name: (E)-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide Traditional Name: (E)-N-[(3-chloro-2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-3-(4-fluorophenyl)acrylamide Formula: C16H11ClFN3O4S MolecularWeight: 395.792643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=CC(=CC(=C2O)Cl)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)NC(=S)NC2=CC(=CC(=C2O)Cl)[N+](=O)[O-])F

InChI

InChI=1S/C16H11ClFN3O4S/c17-12-7-11(21(24)25)8-13(15(12)23)19-16(26)20-14(22)6-3-9-1-4-10(18)5-2-9/h1-8,23H,(H2,19,20,22,26)/b6-3+