1-(4-methylphenyl)sulfanyl-4-methylsulfonyl-2-nitro-benzene

Systemtic Name: 1-(4-methylphenyl)sulfanyl-4-methylsulfonyl-2-nitro-benzene Openeye Name: 4-methylsulfonyl-2-nitro-1-(p-tolylsulfanyl)benzene CAS Name: 1-[(4-methylphenyl)thio]-4-methylsulfonyl-2-nitrobenzene IUPAC Name: 1-(4-methylphenyl)sulfanyl-4-methylsulfonyl-2-nitrobenzene Traditional Name: 4-mesyl-2-nitro-1-(p-tolylthio)benzene Formula: C14H13NO4S2 MolecularWeight: 323.38732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO4S2/c1-10-3-5-11(6-4-10)20-14-8-7-12(21(2,18)19)9-13(14)15(16)17/h3-9H,1-2H3