2-(2-chloranyl-4-methylsulfanyl-phenyl)carbonyl-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-(2-chloranyl-4-methylsulfanyl-phenyl)carbonyl-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: 2-(2-chloro-4-methylsulfanyl-benzoyl)-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: 2-[[2-chloro-4-(methylthio)phenyl]-oxomethyl]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: 2-(2-chloro-4-methylsulfanylbenzoyl)-4,4-dimethyl-3-oxopentanenitrile Traditional Name: 2-[2-chloro-4-(methylthio)benzoyl]-3-keto-4,4-dimethyl-valeronitrile Formula: C15H16ClNO2S MolecularWeight: 309.81104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C#N)C(=O)C1=C(C=C(C=C1)SC)Cl

Isomeric SMILES

CC(C)(C)C(=O)C(C#N)C(=O)C1=C(C=C(C=C1)SC)Cl

InChI

InChI=1S/C15H16ClNO2S/c1-15(2,3)14(19)11(8-17)13(18)10-6-5-9(20-4)7-12(10)16/h5-7,11H,1-4H3