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

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-3-(3-fluoranyl-4-methyl-phenyl)quinazolin-4-one Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-3-(3-fluoro-4-methyl-phenyl)quinazolin-4-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-3-(3-fluoro-4-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-(3-fluoro-4-methylphenyl)quinazolin-4-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-3-(3-fluoro-4-methyl-phenyl)quinazolin-4-one Formula: C25H21FN2O3S MolecularWeight: 448.509243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)C(=O)C)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)C(=O)C)OC)F

InChI

InChI=1S/C25H21FN2O3S/c1-15-8-10-19(13-21(15)26)28-24(30)20-6-4-5-7-22(20)27-25(28)32-14-18-12-17(16(2)29)9-11-23(18)31-3/h4-13H,14H2,1-3H3