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

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-3-allyl-quinazolin-4-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-3-allyl-quinazolin-4-one Formula: C21H20N2O3S MolecularWeight: 380.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S/c1-4-11-23-20(25)17-7-5-6-8-18(17)22-21(23)27-13-16-12-15(14(2)24)9-10-19(16)26-3/h4-10,12H,1,11,13H2,2-3H3