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

Systemtic Name: 3-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)sulfanyl-quinazolin-4-one Openeye Name: 3-[4-(difluoromethylsulfanyl)phenyl]-2-(1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazolin-4-one CAS Name: 3-[4-(difluoromethylthio)phenyl]-2-[[1-oxo-1-(1-pyrrolidinyl)propan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-[4-(difluoromethylsulfanyl)phenyl]-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinazolin-4-one Traditional Name: 3-[4-(difluoromethylthio)phenyl]-2-[(2-keto-1-methyl-2-pyrrolidino-ethyl)thio]quinazolin-4-one Formula: C22H21F2N3O2S2 MolecularWeight: 461.547846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)SC(F)F

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)SC(F)F

InChI

InChI=1S/C22H21F2N3O2S2/c1-14(19(28)26-12-4-5-13-26)30-22-25-18-7-3-2-6-17(18)20(29)27(22)15-8-10-16(11-9-15)31-21(23)24/h2-3,6-11,14,21H,4-5,12-13H2,1H3