6-[[2-[(4-chlorophenyl)methylsulfanyl]ethylamino]methylidene]-4-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[2-[(4-chlorophenyl)methylsulfanyl]ethylamino]methylidene]-4-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-[(4-chlorophenyl)methylsulfanyl]ethylamino]methylene]-4-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[2-[(4-chlorophenyl)methylthio]ethylamino]methylidene]-4-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-[(4-chlorophenyl)methylsulfanyl]ethylamino]methylidene]-4-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-[(4-chlorobenzyl)thio]ethylamino]methylene]-4-methoxy-cyclohexa-2,4-dien-1-one Formula: C17H18ClNO2S MolecularWeight: 335.84832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNCCSCC2=CC=C(C=C2)Cl)C(=O)C=C1

Isomeric SMILES

COC1=CC(=CNCCSCC2=CC=C(C=C2)Cl)C(=O)C=C1

InChI

InChI=1S/C17H18ClNO2S/c1-21-16-6-7-17(20)14(10-16)11-19-8-9-22-12-13-2-4-15(18)5-3-13/h2-7,10-11,19H,8-9,12H2,1H3