(4E)-4-[[(4-fluorophenyl)amino]-sulfanyl-methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-[[(4-fluorophenyl)amino]-sulfanyl-methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[(4-fluoroanilino)-sulfanyl-methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[(4-fluoroanilino)-mercaptomethylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[(4-fluoroanilino)-sulfanylmethylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[(4-fluoroanilino)-mercapto-methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C13H10FNO2S MolecularWeight: 263.287403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=C2C=CC(=O)C=C2O)S)F

Isomeric SMILES

C1=CC(=CC=C1N/C(=C\2/C=CC(=O)C=C2O)/S)F

InChI

InChI=1S/C13H10FNO2S/c14-8-1-3-9(4-2-8)15-13(18)11-6-5-10(16)7-12(11)17/h1-7,15,17-18H/b13-11+