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

Systemtic Name: (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-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 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C23H16N4O4S MolecularWeight: 444.46254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=NN=C(O4)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=NN=C(O4)C5=CC=CS5

InChI

InChI=1S/C23H16N4O4S/c28-22-17-10-5-4-9-16(17)20(26-27(22)13-15-7-2-1-3-8-15)23(29)30-14-19-24-25-21(31-19)18-11-6-12-32-18/h1-12H,13-14H2