2-[3-[2,4-bis(fluoranyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)ethanamide

Systemtic Name: 2-[3-[2,4-bis(fluoranyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[3-(2,4-difluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[3-(2,4-difluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[3-(2,4-difluorophenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C22H20F2N4O2S MolecularWeight: 442.481606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)F)F

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C22H20F2N4O2S/c1-13(2)22(3,12-25)27-19(29)11-31-21-26-17-7-5-4-6-15(17)20(30)28(21)18-9-8-14(23)10-16(18)24/h4-10,13H,11H2,1-3H3,(H,27,29)