2-(2,5-dimethylphenyl)sulfanyl-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-1-(3-nitrophenyl)ethanone Openeye Name: 2-(2,5-dimethylphenyl)sulfanyl-1-(3-nitrophenyl)ethanone CAS Name: 2-[(2,5-dimethylphenyl)thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-(2,5-dimethylphenyl)sulfanyl-1-(3-nitrophenyl)ethanone Traditional Name: 2-[(2,5-dimethylphenyl)thio]-1-(3-nitrophenyl)ethanone Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO3S/c1-11-6-7-12(2)16(8-11)21-10-15(18)13-4-3-5-14(9-13)17(19)20/h3-9H,10H2,1-2H3