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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCC2=C(N=C(NC2=O)SCC(=O)NC3=CC(=CC=C3)F)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CC2=C(N=C(NC2=O)SCC(=O)NC3=CC(=CC=C3)F)O

InChI

InChI=1S/C21H18FN3O3S/c22-15-9-5-10-16(12-15)23-18(26)13-29-21-24-19(27)17(20(28)25-21)11-4-8-14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H,23,26)(H2,24,25,27,28)/b8-4+