N-(2-fluorophenyl)-2-[[4-oxidanyl-6-oxidanylidene-5-[(E)-3-phenylprop-2-enyl]-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-fluorophenyl)-2-[[4-oxidanyl-6-oxidanylidene-5-[(E)-3-phenylprop-2-enyl]-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[(E)-cinnamyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide CAS Name: N-(2-fluorophenyl)-2-[[4-hydroxy-6-oxo-5-[(E)-3-phenylprop-2-enyl]-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(2-fluorophenyl)-2-[[4-hydroxy-6-oxo-5-[(E)-3-phenylprop-2-enyl]-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(E)-cinnamyl]-4-hydroxy-6-keto-1H-pyrimidin-2-yl]thio]-N-(2-fluorophenyl)acetamide Formula: C21H18FN3O3S MolecularWeight: 411.449323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCC2=C(N=C(NC2=O)SCC(=O)NC3=CC=CC=C3F)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CC2=C(N=C(NC2=O)SCC(=O)NC3=CC=CC=C3F)O

InChI

InChI=1S/C21H18FN3O3S/c22-16-11-4-5-12-17(16)23-18(26)13-29-21-24-19(27)15(20(28)25-21)10-6-9-14-7-2-1-3-8-14/h1-9,11-12H,10,13H2,(H,23,26)(H2,24,25,27,28)/b9-6+