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

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-3-(3-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-3-(3-methoxyphenyl)quinazolin-4-one Formula: C25H22N2O4S MolecularWeight: 446.51818

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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=CC(=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O4S/c1-16(28)17-11-12-23(31-3)18(13-17)15-32-25-26-22-10-5-4-9-21(22)24(29)27(25)19-7-6-8-20(14-19)30-2/h4-14H,15H2,1-3H3