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

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-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=NOC(=N4)C5=CSC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=NOC(=N4)C5=CSC=C5

InChI

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