2-bromanyl-4-[[4-(2-chlorophenyl)piperazin-1-yl]-sulfanyl-methylidene]-6-methoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 2-bromanyl-4-[[4-(2-chlorophenyl)piperazin-1-yl]-sulfanyl-methylidene]-6-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: 2-bromo-4-[[4-(2-chlorophenyl)piperazin-1-yl]-sulfanyl-methylene]-6-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 2-bromo-4-[[4-(2-chlorophenyl)-1-piperazinyl]-mercaptomethylidene]-6-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 2-bromo-4-[[4-(2-chlorophenyl)piperazin-1-yl]-sulfanylmethylidene]-6-methoxycyclohexa-2,5-dien-1-one Traditional Name: 2-bromo-4-[[4-(2-chlorophenyl)piperazino]-mercapto-methylene]-6-methoxy-cyclohexa-2,5-dien-1-one Formula: C18H18BrClN2O2S MolecularWeight: 441.76972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(N2CCN(CC2)C3=CC=CC=C3Cl)S)C=C(C1=O)Br

Isomeric SMILES

COC1=CC(=C(N2CCN(CC2)C3=CC=CC=C3Cl)S)C=C(C1=O)Br

InChI

InChI=1S/C18H18BrClN2O2S/c1-24-16-11-12(10-13(19)17(16)23)18(25)22-8-6-21(7-9-22)15-5-3-2-4-14(15)20/h2-5,10-11,25H,6-9H2,1H3