2-[methylamino-(phenylmethylsulfanyl)methylidene]-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: 2-[methylamino-(phenylmethylsulfanyl)methylidene]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[benzylsulfanyl(methylamino)methylene]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[methylamino-(phenylmethylthio)methylidene]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[benzylsulfanyl(methylamino)methylidene]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[(benzylthio)-(methylamino)methylene]-5-phenyl-cyclohexane-1,3-quinone Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO2S/c1-22-21(25-14-15-8-4-2-5-9-15)20-18(23)12-17(13-19(20)24)16-10-6-3-7-11-16/h2-11,17,22H,12-14H2,1H3