N-[5-(5-chloranyl-4-oxidanylidene-1H-pyrimidin-6-yl)-2-cyano-4-fluoranyl-phenyl]ethanesulfonamide

Systemtic Name: N-[5-(5-chloranyl-4-oxidanylidene-1H-pyrimidin-6-yl)-2-cyano-4-fluoranyl-phenyl]ethanesulfonamide Openeye Name: N-[5-(5-chloro-4-oxo-1H-pyrimidin-6-yl)-2-cyano-4-fluoro-phenyl]ethanesulfonamide CAS Name: N-[5-(5-chloro-4-oxo-1H-pyrimidin-6-yl)-2-cyano-4-fluorophenyl]ethanesulfonamide IUPAC Name: N-[5-(5-chloro-4-oxo-1H-pyrimidin-6-yl)-2-cyano-4-fluorophenyl]ethanesulfonamide Traditional Name: N-[5-(5-chloro-4-keto-1H-pyrimidin-6-yl)-2-cyano-4-fluoro-phenyl]ethanesulfonamide Formula: C13H10ClFN4O3S MolecularWeight: 356.759903

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC(=C(C=C1C#N)F)C2=C(C(=O)N=CN2)Cl

Isomeric SMILES

CCS(=O)(=O)NC1=CC(=C(C=C1C#N)F)C2=C(C(=O)N=CN2)Cl

InChI

InChI=1S/C13H10ClFN4O3S/c1-2-23(21,22)19-10-4-8(9(15)3-7(10)5-16)12-11(14)13(20)18-6-17-12/h3-4,6,19H,2H2,1H3,(H,17,18,20)