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

Systemtic Name: 7-chloranyl-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-7-chloro-quinazolin-4-one CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-7-chloro-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-7-chloro-3-prop-2-enylquinazolin-4-one Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-3-allyl-7-chloro-quinazolin-4-one Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H19ClN2O3S/c1-4-9-24-20(26)17-7-6-16(22)11-18(17)23-21(24)28-12-15-10-14(13(2)25)5-8-19(15)27-3/h4-8,10-11H,1,9,12H2,2-3H3