6-chloranyl-2-[[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-chloro-quinazolin-4-one CAS Name: 6-chloro-2-[[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-chloro-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylthio]-6-chloro-quinazolin-4-one Formula: C21H17ClN4O2S MolecularWeight: 424.90328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=NC(=NO3)CC4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC3=NC(=NO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H17ClN4O2S/c1-2-10-26-20(27)16-12-15(22)8-9-17(16)23-21(26)29-13-19-24-18(25-28-19)11-14-6-4-3-5-7-14/h2-9,12H,1,10-11,13H2