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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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