6-chloranyl-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-6-chloro-2-[(5-phenylisoxazol-3-yl)methylsulfanyl]quinazolin-4-one CAS Name: 6-chloro-2-[(5-phenyl-3-isoxazolyl)methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 6-chloro-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-6-chloro-2-[(5-phenylisoxazol-3-yl)methylthio]quinazolin-4-one Formula: C21H16ClN3O2S MolecularWeight: 409.88864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H16ClN3O2S/c1-2-10-25-20(26)17-11-15(22)8-9-18(17)23-21(25)28-13-16-12-19(27-24-16)14-6-4-3-5-7-14/h2-9,11-12H,1,10,13H2