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

Systemtic Name: 2-cyclopropylcarbonyl-3-(4-methyl-3-methylsulfanyl-phenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(cyclopropanecarbonyl)-3-(4-methyl-3-methylsulfanyl-phenyl)-3-oxo-propanenitrile CAS Name: 2-[cyclopropyl(oxo)methyl]-3-[4-methyl-3-(methylthio)phenyl]-3-oxopropanenitrile IUPAC Name: 2-(cyclopropanecarbonyl)-3-(4-methyl-3-methylsulfanylphenyl)-3-oxopropanenitrile Traditional Name: 2-(cyclopropanecarbonyl)-3-keto-3-[4-methyl-3-(methylthio)phenyl]propionitrile Formula: C15H15NO2S MolecularWeight: 273.3501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C#N)C(=O)C2CC2)SC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C#N)C(=O)C2CC2)SC

InChI

InChI=1S/C15H15NO2S/c1-9-3-4-11(7-13(9)19-2)15(18)12(8-16)14(17)10-5-6-10/h3-4,7,10,12H,5-6H2,1-2H3