2-(phenylmethyl)-4-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)phthalazin-1-one

Systemtic Name: 2-(phenylmethyl)-4-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)phthalazin-1-one Openeye Name: 4-(5-allylsulfanyl-1,3,4-oxadiazol-2-yl)-2-benzyl-phthalazin-1-one CAS Name: 2-(phenylmethyl)-4-[5-(prop-2-enylthio)-1,3,4-oxadiazol-2-yl]-1-phthalazinone IUPAC Name: 2-benzyl-4-(5-prop-2-enylsulfanyl-1,3,4-oxadiazol-2-yl)phthalazin-1-one Traditional Name: 4-[5-(allylthio)-1,3,4-oxadiazol-2-yl]-2-benzyl-phthalazin-1-one Formula: C20H16N4O2S MolecularWeight: 376.43164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(O1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C=CCSC1=NN=C(O1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C20H16N4O2S/c1-2-12-27-20-22-21-18(26-20)17-15-10-6-7-11-16(15)19(25)24(23-17)13-14-8-4-3-5-9-14/h2-11H,1,12-13H2