4-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[5-(2-morpholinoethylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one CAS Name: 4-[5-[2-(4-morpholinyl)ethylthio]-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Traditional Name: 2-benzyl-4-[5-(2-morpholinoethylthio)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C23H23N5O3S MolecularWeight: 449.52542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCSC2=NN=C(O2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1COCCN1CCSC2=NN=C(O2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C23H23N5O3S/c29-22-19-9-5-4-8-18(19)20(26-28(22)16-17-6-2-1-3-7-17)21-24-25-23(31-21)32-15-12-27-10-13-30-14-11-27/h1-9H,10-16H2