(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C22H14N4O4S MolecularWeight: 430.43596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=NN=C(O4)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=NN=C(O4)C5=CC=CS5

InChI

InChI=1S/C22H14N4O4S/c27-21-16-10-5-4-9-15(16)19(25-26(21)14-7-2-1-3-8-14)22(28)29-13-18-23-24-20(30-18)17-11-6-12-31-17/h1-12H,13H2