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

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl-(methylamino)methylidene]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl-(methylamino)methylene]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[[(3,4-dichlorophenyl)methylthio]-(methylamino)methylidene]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl-(methylamino)methylidene]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[[(3,4-dichlorobenzyl)thio]-(methylamino)methylene]-5-phenyl-cyclohexane-1,3-quinone Formula: C21H19Cl2NO2S MolecularWeight: 420.35206

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H19Cl2NO2S/c1-24-21(27-12-13-7-8-16(22)17(23)9-13)20-18(25)10-15(11-19(20)26)14-5-3-2-4-6-14/h2-9,15,24H,10-12H2,1H3