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

Systemtic Name: 2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]quinazolin-4-one Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]quinazolin-4-one CAS Name: 2-[(5-acetyl-2-ethoxyphenyl)methylthio]-3-[(4-fluorophenyl)methyl]-4-quinazolinone IUPAC Name: 2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]quinazolin-4-one Traditional Name: 2-[(5-acetyl-2-ethoxy-benzyl)thio]-3-(4-fluorobenzyl)quinazolin-4-one Formula: C26H23FN2O3S MolecularWeight: 462.535823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C26H23FN2O3S/c1-3-32-24-13-10-19(17(2)30)14-20(24)16-33-26-28-23-7-5-4-6-22(23)25(31)29(26)15-18-8-11-21(27)12-9-18/h4-14H,3,15-16H2,1-2H3