1-(4-nitro-3-phenylsulfanyl-phenyl)ethanone

Systemtic Name: 1-(4-nitro-3-phenylsulfanyl-phenyl)ethanone Openeye Name: 1-(4-nitro-3-phenylsulfanyl-phenyl)ethanone CAS Name: 1-[4-nitro-3-(phenylthio)phenyl]ethanone IUPAC Name: 1-(4-nitro-3-phenylsulfanylphenyl)ethanone Traditional Name: 1-[4-nitro-3-(phenylthio)phenyl]ethanone Formula: C14H11NO3S MolecularWeight: 273.30704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])SC2=CC=CC=C2

InChI

InChI=1S/C14H11NO3S/c1-10(16)11-7-8-13(15(17)18)14(9-11)19-12-5-3-2-4-6-12/h2-9H,1H3