3-prop-2-enyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one

Systemtic Name: 3-prop-2-enyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one Openeye Name: 3-allyl-2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propylsulfanyl]quinazolin-4-one CAS Name: 3-prop-2-enyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylthio]-4-quinazolinone IUPAC Name: 3-prop-2-enyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one Traditional Name: 3-allyl-2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propylthio]quinazolin-4-one Formula: C21H19N5O2S MolecularWeight: 405.47286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCCCC3=NC(=NO3)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCCCC3=NC(=NO3)C4=CC=NC=C4

InChI

InChI=1S/C21H19N5O2S/c1-2-13-26-20(27)16-6-3-4-7-17(16)23-21(26)29-14-5-8-18-24-19(25-28-18)15-9-11-22-12-10-15/h2-4,6-7,9-12H,1,5,8,13-14H2