N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: N-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]ethyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: N-[2-[(2-chloro-6-fluorophenyl)methylthio]ethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: N-[2-[(2-chloro-6-fluoro-benzyl)thio]ethyl]-3-(3-nitrophenyl)acrylamide Formula: C18H16ClFN2O3S MolecularWeight: 394.847643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)NCCSCC2=C(C=CC=C2Cl)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)NCCSCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C18H16ClFN2O3S/c19-16-5-2-6-17(20)15(16)12-26-10-9-21-18(23)8-7-13-3-1-4-14(11-13)22(24)25/h1-8,11H,9-10,12H2,(H,21,23)