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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN2O3S/c1-16(29)18-9-12-23(31-2)19(13-18)15-32-25-27-22-6-4-3-5-21(22)24(30)28(25)14-17-7-10-20(26)11-8-17/h3-13H,14-15H2,1-2H3