2-(2,5-dimethylphenyl)sulfanyl-1-(4-methyl-3-nitro-phenyl)ethanone

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-(2,5-dimethylphenyl)sulfanyl-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-[(2,5-dimethylphenyl)thio]-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-(2,5-dimethylphenyl)sulfanyl-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-[(2,5-dimethylphenyl)thio]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C17H17NO3S MolecularWeight: 315.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO3S/c1-11-4-5-13(3)17(8-11)22-10-16(19)14-7-6-12(2)15(9-14)18(20)21/h4-9H,10H2,1-3H3