N-aminocarbonyl-2-[[5-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

Systemtic Name: N-aminocarbonyl-2-[[5-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide Openeye Name: 2-[[5-(3-benzyl-4-oxo-phthalazin-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-carbamoyl-propanamide CAS Name: N-carbamoyl-2-[[5-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]-1,3,4-oxadiazol-2-yl]thio]propanamide IUPAC Name: 2-[[5-(3-benzyl-4-oxophthalazin-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-carbamoylpropanamide Traditional Name: 2-[[5-(3-benzyl-4-keto-phthalazin-1-yl)-1,3,4-oxadiazol-2-yl]thio]-N-carbamoyl-propionamide Formula: C21H18N6O4S MolecularWeight: 450.47042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)SC1=NN=C(O1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC(=O)N)SC1=NN=C(O1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C21H18N6O4S/c1-12(17(28)23-20(22)30)32-21-25-24-18(31-21)16-14-9-5-6-10-15(14)19(29)27(26-16)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H3,22,23,28,30)