1-[3-nitro-4-(phenylmethylsulfanyl)phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-(phenylmethylsulfanyl)phenyl]ethanone Openeye Name: 1-(4-benzylsulfanyl-3-nitro-phenyl)ethanone CAS Name: 1-[3-nitro-4-(phenylmethylthio)phenyl]ethanone IUPAC Name: 1-(4-benzylsulfanyl-3-nitrophenyl)ethanone Traditional Name: 1-[4-(benzylthio)-3-nitro-phenyl]ethanone Formula: C15H13NO3S MolecularWeight: 287.33362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO3S/c1-11(17)13-7-8-15(14(9-13)16(18)19)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3