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

Systemtic Name: 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one Openeye Name: 2-[[3-(4-chlorophenyl)isoxazol-5-yl]methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one CAS Name: 2-[[3-(4-chlorophenyl)-5-isoxazolyl]methylthio]-3-(3-methoxypropyl)-4-quinazolinone IUPAC Name: 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one Traditional Name: 2-[[3-(4-chlorophenyl)isoxazol-5-yl]methylthio]-3-(3-methoxypropyl)quinazolin-4-one Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=NO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=NO3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN3O3S/c1-28-12-4-11-26-21(27)18-5-2-3-6-19(18)24-22(26)30-14-17-13-20(25-29-17)15-7-9-16(23)10-8-15/h2-3,5-10,13H,4,11-12,14H2,1H3