(E)-3-(4-chlorophenyl)-N-[(4-fluoranyl-3-nitro-phenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-chlorophenyl)-N-[(4-fluoranyl-3-nitro-phenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-chlorophenyl)-N-[(4-fluoro-3-nitro-phenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-chlorophenyl)-N-[(4-fluoro-3-nitroanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-chlorophenyl)-N-[(4-fluoro-3-nitrophenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-chlorophenyl)-N-[(4-fluoro-3-nitro-phenyl)thiocarbamoyl]acrylamide Formula: C16H11ClFN3O3S MolecularWeight: 379.793243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=CC(=C(C=C2)F)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClFN3O3S/c17-11-4-1-10(2-5-11)3-8-15(22)20-16(25)19-12-6-7-13(18)14(9-12)21(23)24/h1-9H,(H2,19,20,22,25)/b8-3+