1-[(2-methylphenyl)methylsulfanyl]-4-methylsulfonyl-2-nitro-benzene

Systemtic Name: 1-[(2-methylphenyl)methylsulfanyl]-4-methylsulfonyl-2-nitro-benzene Openeye Name: 4-methylsulfonyl-2-nitro-1-(o-tolylmethylsulfanyl)benzene CAS Name: 1-[(2-methylphenyl)methylthio]-4-methylsulfonyl-2-nitrobenzene IUPAC Name: 1-[(2-methylphenyl)methylsulfanyl]-4-methylsulfonyl-2-nitrobenzene Traditional Name: 4-mesyl-1-[(2-methylbenzyl)thio]-2-nitro-benzene Formula: C15H15NO4S2 MolecularWeight: 337.4139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO4S2/c1-11-5-3-4-6-12(11)10-21-15-8-7-13(22(2,19)20)9-14(15)16(17)18/h3-9H,10H2,1-2H3