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

Systemtic Name: 2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]-3-allyl-quinazolin-4-one CAS Name: 2-[(5-acetyl-2-ethoxyphenyl)methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 2-[(5-acetyl-2-ethoxy-benzyl)thio]-3-allyl-quinazolin-4-one Formula: C22H22N2O3S MolecularWeight: 394.48668

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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)N2CC=C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C22H22N2O3S/c1-4-12-24-21(26)18-8-6-7-9-19(18)23-22(24)28-14-17-13-16(15(3)25)10-11-20(17)27-5-2/h4,6-11,13H,1,5,12,14H2,2-3H3