4-methylsulfanyl-1-nitro-2-(phenylsulfonylmethyl)benzene

Systemtic Name: 4-methylsulfanyl-1-nitro-2-(phenylsulfonylmethyl)benzene Openeye Name: 2-(benzenesulfonylmethyl)-4-methylsulfanyl-1-nitro-benzene CAS Name: 2-(benzenesulfonylmethyl)-4-(methylthio)-1-nitrobenzene IUPAC Name: 2-(benzenesulfonylmethyl)-4-methylsulfanyl-1-nitrobenzene Traditional Name: 2-(besylmethyl)-4-(methylthio)-1-nitro-benzene Formula: C14H13NO4S2 MolecularWeight: 323.38732

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CSC1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H13NO4S2/c1-20-12-7-8-14(15(16)17)11(9-12)10-21(18,19)13-5-3-2-4-6-13/h2-9H,10H2,1H3