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

Systemtic Name: 4-[5-(2-methylpropylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-(5-isobutylsulfanyl-1,3,4-oxadiazol-2-yl)phthalazin-1-one CAS Name: 4-[5-(2-methylpropylthio)-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[5-(2-methylpropylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Traditional Name: 2-benzyl-4-[5-(isobutylthio)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C21H20N4O2S MolecularWeight: 392.4741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN=C(O1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CSC1=NN=C(O1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-14(2)13-28-21-23-22-19(27-21)18-16-10-6-7-11-17(16)20(26)25(24-18)12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3