2-[(4-chlorophenyl)methylsulfanyl-(methylamino)methylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl-(methylamino)methylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl-(methylamino)methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[[(4-chlorophenyl)methylthio]-(methylamino)methylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl-(methylamino)methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[[(4-chlorobenzyl)thio]-(methylamino)methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C17H20ClNO2S MolecularWeight: 337.8642

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=C(NC)SCC2=CC=C(C=C2)Cl)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=C(NC)SCC2=CC=C(C=C2)Cl)C(=O)C1)C

InChI

InChI=1S/C17H20ClNO2S/c1-17(2)8-13(20)15(14(21)9-17)16(19-3)22-10-11-4-6-12(18)7-5-11/h4-7,19H,8-10H2,1-3H3