2-[(3,4-dichlorophenyl)methylsulfanyl-(prop-2-enylamino)methylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl-(prop-2-enylamino)methylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(allylamino)-[(3,4-dichlorophenyl)methylsulfanyl]methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[[(3,4-dichlorophenyl)methylthio]-(prop-2-enylamino)methylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl-(prop-2-enylamino)methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(allylamino)-[(3,4-dichlorobenzyl)thio]methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C19H21Cl2NO2S MolecularWeight: 398.34654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21Cl2NO2S/c1-4-7-22-18(17-15(23)9-19(2,3)10-16(17)24)25-11-12-5-6-13(20)14(21)8-12/h4-6,8,22H,1,7,9-11H2,2-3H3