N-(4-bromophenyl)-2-[[6-oxidanylidene-5-(4-propan-2-ylphenyl)sulfonyl-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[[6-oxidanylidene-5-(4-propan-2-ylphenyl)sulfonyl-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[[5-(4-isopropylphenyl)sulfonyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[6-oxo-5-(4-propan-2-ylphenyl)sulfonyl-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[6-oxo-5-(4-propan-2-ylphenyl)sulfonyl-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[(6-keto-5-p-cumenylsulfonyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C21H20BrN3O4S2 MolecularWeight: 522.4352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O4S2/c1-13(2)14-3-9-17(10-4-14)31(28,29)18-11-23-21(25-20(18)27)30-12-19(26)24-16-7-5-15(22)6-8-16/h3-11,13H,12H2,1-2H3,(H,24,26)(H,23,25,27)