3-[2,4-bis(fluoranyl)phenyl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-3-(2,4-difluorophenyl)-4-quinazolinone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-3-(2,4-difluorophenyl)quinazolin-4-one Formula: C24H18F2N2O3S MolecularWeight: 452.473126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)F)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C24H18F2N2O3S/c1-14(29)15-7-10-22(31-2)16(11-15)13-32-24-27-20-6-4-3-5-18(20)23(30)28(24)21-9-8-17(25)12-19(21)26/h3-12H,13H2,1-2H3