2-cyclopropylcarbonyl-3-[2-(methylsulfonylmethyl)phenyl]-3-oxidanylidene-propanenitrile

Systemtic Name: 2-cyclopropylcarbonyl-3-[2-(methylsulfonylmethyl)phenyl]-3-oxidanylidene-propanenitrile Openeye Name: 2-(cyclopropanecarbonyl)-3-[2-(methylsulfonylmethyl)phenyl]-3-oxo-propanenitrile CAS Name: 2-[cyclopropyl(oxo)methyl]-3-[2-(methylsulfonylmethyl)phenyl]-3-oxopropanenitrile IUPAC Name: 2-(cyclopropanecarbonyl)-3-[2-(methylsulfonylmethyl)phenyl]-3-oxopropanenitrile Traditional Name: 2-(cyclopropanecarbonyl)-3-keto-3-[2-(mesylmethyl)phenyl]propionitrile Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC=C1C(=O)C(C#N)C(=O)C2CC2

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC=C1C(=O)C(C#N)C(=O)C2CC2

InChI

InChI=1S/C15H15NO4S/c1-21(19,20)9-11-4-2-3-5-12(11)15(18)13(8-16)14(17)10-6-7-10/h2-5,10,13H,6-7,9H2,1H3