4-[[4-(2-fluorophenyl)piperazin-1-yl]-sulfanyl-methylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[4-(2-fluorophenyl)piperazin-1-yl]-sulfanyl-methylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[4-(2-fluorophenyl)piperazin-1-yl]-sulfanyl-methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[4-(2-fluorophenyl)-1-piperazinyl]-mercaptomethylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[4-(2-fluorophenyl)piperazin-1-yl]-sulfanylmethylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[4-(2-fluorophenyl)piperazino]-mercapto-methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Formula: C19H21FN2O3S MolecularWeight: 376.445043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(N2CCN(CC2)C3=CC=CC=C3F)S)C=C(C1=O)OC

Isomeric SMILES

COC1=CC(=C(N2CCN(CC2)C3=CC=CC=C3F)S)C=C(C1=O)OC

InChI

InChI=1S/C19H21FN2O3S/c1-24-16-11-13(12-17(25-2)18(16)23)19(26)22-9-7-21(8-10-22)15-6-4-3-5-14(15)20/h3-6,11-12,26H,7-10H2,1-2H3