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

Systemtic Name: 3-(3-chlorophenyl)-2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]-3-(3-chlorophenyl)quinazolin-4-one CAS Name: 2-[(5-acetyl-2-ethoxyphenyl)methylthio]-3-(3-chlorophenyl)-4-quinazolinone IUPAC Name: 2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]-3-(3-chlorophenyl)quinazolin-4-one Traditional Name: 2-[(5-acetyl-2-ethoxy-benzyl)thio]-3-(3-chlorophenyl)quinazolin-4-one Formula: C25H21ClN2O3S MolecularWeight: 464.96384

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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)N2C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H21ClN2O3S/c1-3-31-23-12-11-17(16(2)29)13-18(23)15-32-25-27-22-10-5-4-9-21(22)24(30)28(25)20-8-6-7-19(26)14-20/h4-14H,3,15H2,1-2H3