7-chloranyl-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-3-propan-2-yl-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-3-propan-2-yl-quinazolin-4-one Openeye Name: 7-chloro-3-isopropyl-2-[(5-phenylisoxazol-3-yl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-2-[(5-phenyl-3-isoxazolyl)methylthio]-3-propan-2-yl-4-quinazolinone IUPAC Name: 7-chloro-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one Traditional Name: 7-chloro-3-isopropyl-2-[(5-phenylisoxazol-3-yl)methylthio]quinazolin-4-one Formula: C21H18ClN3O2S MolecularWeight: 411.90452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H18ClN3O2S/c1-13(2)25-20(26)17-9-8-15(22)10-18(17)23-21(25)28-12-16-11-19(27-24-16)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3