1-(4-nitro-3-pyridin-2-ylsulfanyl-phenyl)ethanone

Systemtic Name: 1-(4-nitro-3-pyridin-2-ylsulfanyl-phenyl)ethanone Openeye Name: 1-[4-nitro-3-(2-pyridylsulfanyl)phenyl]ethanone CAS Name: 1-[4-nitro-3-(2-pyridinylthio)phenyl]ethanone IUPAC Name: 1-(4-nitro-3-pyridin-2-ylsulfanylphenyl)ethanone Traditional Name: 1-[4-nitro-3-(2-pyridylthio)phenyl]ethanone Formula: C13H10N2O3S MolecularWeight: 274.2951

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=N2

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])SC2=CC=CC=N2

InChI

InChI=1S/C13H10N2O3S/c1-9(16)10-5-6-11(15(17)18)12(8-10)19-13-4-2-3-7-14-13/h2-8H,1H3