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

Systemtic Name: 5,5-dimethyl-2-[[(3-methylsulfanylphenyl)amino]methylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[(3-methylsulfanylanilino)methylene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[[3-(methylthio)anilino]methylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[(3-methylsulfanylanilino)methylidene]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[[3-(methylthio)anilino]methylene]cyclohexane-1,3-quinone Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNC2=CC(=CC=C2)SC)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNC2=CC(=CC=C2)SC)C(=O)C1)C

InChI

InChI=1S/C16H19NO2S/c1-16(2)8-14(18)13(15(19)9-16)10-17-11-5-4-6-12(7-11)20-3/h4-7,10,17H,8-9H2,1-3H3