2-[3-[2,4-bis(fluoranyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)ethanamide

Systemtic Name: 2-[3-[2,4-bis(fluoranyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[3-(2,4-difluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[3-(2,4-difluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[3-(2,4-difluorophenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C23H20F2N4O2S MolecularWeight: 454.492306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C23H20F2N4O2S/c24-15-8-9-19(17(25)12-15)29-21(31)16-6-2-3-7-18(16)27-22(29)32-13-20(30)28-23(14-26)10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,28,30)