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

Systemtic Name: 2-cyclopropylcarbonyl-3-(4-methylsulfanyl-2-methylsulfonyl-phenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(cyclopropanecarbonyl)-3-(4-methylsulfanyl-2-methylsulfonyl-phenyl)-3-oxo-propanenitrile CAS Name: 2-[cyclopropyl(oxo)methyl]-3-[2-methylsulfonyl-4-(methylthio)phenyl]-3-oxopropanenitrile IUPAC Name: 2-(cyclopropanecarbonyl)-3-(4-methylsulfanyl-2-methylsulfonylphenyl)-3-oxopropanenitrile Traditional Name: 2-(cyclopropanecarbonyl)-3-keto-3-[2-mesyl-4-(methylthio)phenyl]propionitrile Formula: C15H15NO4S2 MolecularWeight: 337.4139

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)C(=O)C(C#N)C(=O)C2CC2)S(=O)(=O)C

Isomeric SMILES

CSC1=CC(=C(C=C1)C(=O)C(C#N)C(=O)C2CC2)S(=O)(=O)C

InChI

InChI=1S/C15H15NO4S2/c1-21-10-5-6-11(13(7-10)22(2,19)20)15(18)12(8-16)14(17)9-3-4-9/h5-7,9,12H,3-4H2,1-2H3