1-[4-[(2-methylphenyl)methylsulfanyl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[(2-methylphenyl)methylsulfanyl]-3-nitro-phenyl]ethanone Openeye Name: 1-[3-nitro-4-(o-tolylmethylsulfanyl)phenyl]ethanone CAS Name: 1-[4-[(2-methylphenyl)methylthio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[(2-methylphenyl)methylsulfanyl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(2-methylbenzyl)thio]-3-nitro-phenyl]ethanone Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CSC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

InChI

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