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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl-(methylamino)methylidene]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl-(methylamino)methylene]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[[(4-chlorophenyl)methylthio]-(methylamino)methylidene]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl-(methylamino)methylidene]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[[(4-chlorobenzyl)thio]-(methylamino)methylene]-5-phenyl-cyclohexane-1,3-quinone Formula: C21H20ClNO2S MolecularWeight: 385.907

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=C1C(=O)CC(CC1=O)C2=CC=CC=C2)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CNC(=C1C(=O)CC(CC1=O)C2=CC=CC=C2)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClNO2S/c1-23-21(26-13-14-7-9-17(22)10-8-14)20-18(24)11-16(12-19(20)25)15-5-3-2-4-6-15/h2-10,16,23H,11-13H2,1H3