2-[[5-(4-tert-butylphenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(3-chloranyl-4-fluoranyl-phenyl)ethanamide

Systemtic Name: 2-[[5-(4-tert-butylphenyl)sulfonyl-6-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(3-chloranyl-4-fluoranyl-phenyl)ethanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-chloro-4-fluoro-phenyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]thio]-N-(3-chloro-4-fluorophenyl)acetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide Traditional Name: 2-[[5-(4-tert-butylphenyl)sulfonyl-6-keto-1H-pyrimidin-2-yl]thio]-N-(3-chloro-4-fluoro-phenyl)acetamide Formula: C22H21ClFN3O4S2 MolecularWeight: 510.001243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClFN3O4S2/c1-22(2,3)13-4-7-15(8-5-13)33(30,31)18-11-25-21(27-20(18)29)32-12-19(28)26-14-6-9-17(24)16(23)10-14/h4-11H,12H2,1-3H3,(H,26,28)(H,25,27,29)