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

Systemtic Name: 3-butyl-2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-butyl-2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-butyl-2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-quinazolinone IUPAC Name: 3-butyl-2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-butyl-2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylthio]quinazolin-4-one Formula: C21H19ClN4O2S MolecularWeight: 426.91916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H19ClN4O2S/c1-2-3-11-26-20(27)16-9-4-5-10-17(16)23-21(26)29-13-18-24-19(25-28-18)14-7-6-8-15(22)12-14/h4-10,12H,2-3,11,13H2,1H3