2-fluoranyl-4-methylsulfonyl-benzenecarbonitrile; 4-fluoranyl-2-methylsulfonyl-benzenecarbonitrile

Systemtic Name: 2-fluoranyl-4-methylsulfonyl-benzenecarbonitrile; 4-fluoranyl-2-methylsulfonyl-benzenecarbonitrile Openeye Name: 2-fluoro-4-methylsulfonyl-benzonitrile; 4-fluoro-2-methylsulfonyl-benzonitrile CAS Name: 2-fluoro-4-methylsulfonylbenzonitrile; 4-fluoro-2-methylsulfonylbenzonitrile IUPAC Name: 2-fluoro-4-methylsulfonylbenzonitrile; 4-fluoro-2-methylsulfonylbenzonitrile Traditional Name: 2-fluoro-4-mesyl-benzonitrile; 4-fluoro-2-mesyl-benzonitrile Formula: C16H12F2N2O4S2 MolecularWeight: 398.404286

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C#N)F.CS(=O)(=O)C1=C(C=CC(=C1)F)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C#N)F.CS(=O)(=O)C1=C(C=CC(=C1)F)C#N

InChI

InChI=1S/2C8H6FNO2S/c1-13(11,12)7-3-2-6(5-10)8(9)4-7;1-13(11,12)8-4-7(9)3-2-6(8)5-10/h2*2-4H,1H3