2-cyclopropylcarbonyl-3-(4-methyl-2-methylsulfonyl-phenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-cyclopropylcarbonyl-3-(4-methyl-2-methylsulfonyl-phenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(cyclopropanecarbonyl)-3-(4-methyl-2-methylsulfonyl-phenyl)-3-oxo-propanenitrile CAS Name: 2-[cyclopropyl(oxo)methyl]-3-(4-methyl-2-methylsulfonylphenyl)-3-oxopropanenitrile IUPAC Name: 2-(cyclopropanecarbonyl)-3-(4-methyl-2-methylsulfonylphenyl)-3-oxopropanenitrile Traditional Name: 2-(cyclopropanecarbonyl)-3-keto-3-(2-mesyl-4-methyl-phenyl)propionitrile Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C(C#N)C(=O)C2CC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C(C#N)C(=O)C2CC2)S(=O)(=O)C

InChI

InChI=1S/C15H15NO4S/c1-9-3-6-11(13(7-9)21(2,19)20)15(18)12(8-16)14(17)10-4-5-10/h3,6-7,10,12H,4-5H2,1-2H3