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

Systemtic Name: 2-(phenylmethyl)-4-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)phthalazin-1-one Openeye Name: 2-benzyl-4-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)phthalazin-1-one CAS Name: 2-(phenylmethyl)-4-[5-(propylthio)-1,3,4-oxadiazol-2-yl]-1-phthalazinone IUPAC Name: 2-benzyl-4-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)phthalazin-1-one Traditional Name: 2-benzyl-4-[5-(propylthio)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C20H18N4O2S MolecularWeight: 378.44752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(O1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CCCSC1=NN=C(O1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O2S/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/h3-11H,2,12-13H2,1H3