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

Systemtic Name: 5,5-dimethyl-2-[(phenylmethylsulfanyl)-(prop-2-enylamino)methylidene]cyclohexane-1,3-dione Openeye Name: 2-[(allylamino)-benzylsulfanyl-methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[(phenylmethylthio)-(prop-2-enylamino)methylidene]cyclohexane-1,3-dione IUPAC Name: 2-[benzylsulfanyl-(prop-2-enylamino)methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(allylamino)-(benzylthio)methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C19H23NO2S MolecularWeight: 329.45642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO2S/c1-4-10-20-18(23-13-14-8-6-5-7-9-14)17-15(21)11-19(2,3)12-16(17)22/h4-9,20H,1,10-13H2,2-3H3