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

Systemtic Name: 2-ethoxy-4-[[4-(2-fluorophenyl)piperazin-1-yl]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-ethoxy-4-[[4-(2-fluorophenyl)piperazin-1-yl]-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 2-ethoxy-4-[[4-(2-fluorophenyl)-1-piperazinyl]-mercaptomethylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-ethoxy-4-[[4-(2-fluorophenyl)piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-ethoxy-4-[[4-(2-fluorophenyl)piperazino]-mercapto-methylene]cyclohexa-2,5-dien-1-one Formula: C19H21FN2O2S MolecularWeight: 360.445643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(N2CCN(CC2)C3=CC=CC=C3F)S)C=CC1=O

Isomeric SMILES

CCOC1=CC(=C(N2CCN(CC2)C3=CC=CC=C3F)S)C=CC1=O

InChI

InChI=1S/C19H21FN2O2S/c1-2-24-18-13-14(7-8-17(18)23)19(25)22-11-9-21(10-12-22)16-6-4-3-5-15(16)20/h3-8,13,25H,2,9-12H2,1H3