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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=NO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=NO3)C4=CC=C(C=C4)Cl

InChI

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