1-(2-methylsulfanylphenyl)-2-[(4-nitrophenyl)-oxidanyl-methyl]prop-2-en-1-one

Systemtic Name: 1-(2-methylsulfanylphenyl)-2-[(4-nitrophenyl)-oxidanyl-methyl]prop-2-en-1-one Openeye Name: 2-[hydroxy-(4-nitrophenyl)methyl]-1-(2-methylsulfanylphenyl)prop-2-en-1-one CAS Name: 2-[hydroxy-(4-nitrophenyl)methyl]-1-[2-(methylthio)phenyl]-2-propen-1-one IUPAC Name: 2-[hydroxy-(4-nitrophenyl)methyl]-1-(2-methylsulfanylphenyl)prop-2-en-1-one Traditional Name: 2-[hydroxy-(4-nitrophenyl)methyl]-1-[2-(methylthio)phenyl]prop-2-en-1-one Formula: C17H15NO4S MolecularWeight: 329.3703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C(=C)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CSC1=CC=CC=C1C(=O)C(=C)C(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H15NO4S/c1-11(17(20)14-5-3-4-6-15(14)23-2)16(19)12-7-9-13(10-8-12)18(21)22/h3-10,16,19H,1H2,2H3