2-[1-(3-methylsulfonylphenyl)-1-oxidanylidene-propan-2-yl]propanedinitrile

Systemtic Name: 2-[1-(3-methylsulfonylphenyl)-1-oxidanylidene-propan-2-yl]propanedinitrile Openeye Name: 2-[1-methyl-2-(3-methylsulfonylphenyl)-2-oxo-ethyl]propanedinitrile CAS Name: 2-[1-(3-methylsulfonylphenyl)-1-oxopropan-2-yl]propanedinitrile IUPAC Name: 2-[1-(3-methylsulfonylphenyl)-1-oxopropan-2-yl]propanedinitrile Traditional Name: 2-[2-keto-2-(3-mesylphenyl)-1-methyl-ethyl]malononitrile Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C#N)C#N)C(=O)C1=CC(=CC=C1)S(=O)(=O)C

Isomeric SMILES

CC(C(C#N)C#N)C(=O)C1=CC(=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C13H12N2O3S/c1-9(11(7-14)8-15)13(16)10-4-3-5-12(6-10)19(2,17)18/h3-6,9,11H,1-2H3