2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propyl-quinazolin-4-one

Systemtic Name: 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propyl-quinazolin-4-one Openeye Name: 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propyl-quinazolin-4-one CAS Name: 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-3-propyl-4-quinazolinone IUPAC Name: 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propylquinazolin-4-one Traditional Name: 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-3-propyl-quinazolin-4-one Formula: C21H20N4O3S MolecularWeight: 408.4735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H20N4O3S/c1-3-12-25-20(26)16-6-4-5-7-17(16)22-21(25)29-13-18-23-19(24-28-18)14-8-10-15(27-2)11-9-14/h4-11H,3,12-13H2,1-2H3