3-(4-fluorophenyl)-5-methylidene-2-sulfanyl-1H-pyrimidin-3-ium-4,6-dione

Systemtic Name: 3-(4-fluorophenyl)-5-methylidene-2-sulfanyl-1H-pyrimidin-3-ium-4,6-dione Openeye Name: 3-(4-fluorophenyl)-5-methylene-2-sulfanyl-1H-pyrimidin-3-ium-4,6-dione CAS Name: 3-(4-fluorophenyl)-2-mercapto-5-methylene-1H-pyrimidin-3-ium-4,6-dione IUPAC Name: 3-(4-fluorophenyl)-5-methylidene-2-sulfanyl-1H-pyrimidin-3-ium-4,6-dione Traditional Name: 3-(4-fluorophenyl)-2-mercapto-5-methylene-1H-pyrimidin-3-ium-4,6-quinone Formula: C11H8FN2O2S+ MolecularWeight: 251.256823

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(=O)NC(=[N+](C1=O)C2=CC=C(C=C2)F)S

Isomeric SMILES

C=C1C(=O)NC(=[N+](C1=O)C2=CC=C(C=C2)F)S

InChI

InChI=1S/C11H7FN2O2S/c1-6-9(15)13-11(17)14(10(6)16)8-4-2-7(12)3-5-8/h2-5H,1H2,(H,13,15,17)/p+1