2-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C12H8BrFN3O2S- MolecularWeight: 357.178223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)NC(=O)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Br)F)NC(=O)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C12H9BrFN3O2S/c13-7-1-2-9(8(14)5-7)16-11(19)6-20-12-15-4-3-10(18)17-12/h1-5H,6H2,(H,16,19)(H,15,17,18)/p-1