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

Systemtic Name: 5,5-dimethyl-2-[methylamino-(phenylmethylsulfanyl)methylidene]cyclohexane-1,3-dione Openeye Name: 2-[benzylsulfanyl(methylamino)methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[methylamino-(phenylmethylthio)methylidene]cyclohexane-1,3-dione IUPAC Name: 2-[benzylsulfanyl(methylamino)methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(benzylthio)-(methylamino)methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=C(NC)SCC2=CC=CC=C2)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=C(NC)SCC2=CC=CC=C2)C(=O)C1)C

InChI

InChI=1S/C17H21NO2S/c1-17(2)9-13(19)15(14(20)10-17)16(18-3)21-11-12-7-5-4-6-8-12/h4-8,18H,9-11H2,1-3H3