2-[[5-(4-ethylphenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[[5-(4-ethylphenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[[5-(4-ethylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[[5-(4-ethylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[[5-(4-ethylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[5-(4-ethylphenyl)sulfonyl-6-keto-1H-pyrimidin-2-yl]thio]-N-(4-fluorophenyl)acetamide Formula: C20H18FN3O4S2 MolecularWeight: 447.503023

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H18FN3O4S2/c1-2-13-3-9-16(10-4-13)30(27,28)17-11-22-20(24-19(17)26)29-12-18(25)23-15-7-5-14(21)6-8-15/h3-11H,2,12H2,1H3,(H,23,25)(H,22,24,26)