2-cyclopropylcarbonyl-3-(3,4-dimethyl-2-methylsulfanyl-phenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-cyclopropylcarbonyl-3-(3,4-dimethyl-2-methylsulfanyl-phenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(cyclopropanecarbonyl)-3-(3,4-dimethyl-2-methylsulfanyl-phenyl)-3-oxo-propanenitrile CAS Name: 2-[cyclopropyl(oxo)methyl]-3-[3,4-dimethyl-2-(methylthio)phenyl]-3-oxopropanenitrile IUPAC Name: 2-(cyclopropanecarbonyl)-3-(3,4-dimethyl-2-methylsulfanylphenyl)-3-oxopropanenitrile Traditional Name: 2-(cyclopropanecarbonyl)-3-[3,4-dimethyl-2-(methylthio)phenyl]-3-keto-propionitrile Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO2S/c1-9-4-7-12(16(20-3)10(9)2)15(19)13(8-17)14(18)11-5-6-11/h4,7,11,13H,5-6H2,1-3H3