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

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfanyl-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfanyl-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(2,5-dimethylphenyl)thio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfanyl-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(2,5-dimethylphenyl)thio]-3-nitro-phenyl]ethanone Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO3S/c1-10-4-5-11(2)16(8-10)21-15-7-6-13(12(3)18)9-14(15)17(19)20/h4-9H,1-3H3