5,5-dimethyl-2-[[(2-phenylsulfanylphenyl)amino]methylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[[(2-phenylsulfanylphenyl)amino]methylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[(2-phenylsulfanylanilino)methylene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[[2-(phenylthio)anilino]methylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[(2-phenylsulfanylanilino)methylidene]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[[2-(phenylthio)anilino]methylene]cyclohexane-1,3-quinone Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNC2=CC=CC=C2SC3=CC=CC=C3)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNC2=CC=CC=C2SC3=CC=CC=C3)C(=O)C1)C

InChI

InChI=1S/C21H21NO2S/c1-21(2)12-18(23)16(19(24)13-21)14-22-17-10-6-7-11-20(17)25-15-8-4-3-5-9-15/h3-11,14,22H,12-13H2,1-2H3