2-[1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl]sulfanyl-3-cyclopentyl-quinazolin-4-one

Systemtic Name: 2-[1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl]sulfanyl-3-cyclopentyl-quinazolin-4-one Openeye Name: 3-cyclopentyl-2-[2-(3,4-difluorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-cyclopentyl-2-[[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-cyclopentyl-2-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-cyclopentyl-2-[[2-(3,4-difluorophenyl)-2-keto-1-methyl-ethyl]thio]quinazolin-4-one Formula: C22H20F2N2O2S MolecularWeight: 414.468206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=C(C=C1)F)F)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

CC(C(=O)C1=CC(=C(C=C1)F)F)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C22H20F2N2O2S/c1-13(20(27)14-10-11-17(23)18(24)12-14)29-22-25-19-9-5-4-8-16(19)21(28)26(22)15-6-2-3-7-15/h4-5,8-13,15H,2-3,6-7H2,1H3