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

Systemtic Name: 4-oxidanylidene-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]phthalazine-1-carboxylate Openeye Name: 4-oxo-3-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]phthalazine-1-carboxylate CAS Name: 4-oxo-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-phthalazinecarboxylate IUPAC Name: 4-oxo-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]phthalazine-1-carboxylate Traditional Name: 4-keto-3-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]phthalazine-1-carboxylate Formula: C16H9N4O4S- MolecularWeight: 353.33206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NN=C(O3)C4=CC=CS4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NN=C(O3)C4=CC=CS4)C(=O)[O-]

InChI

InChI=1S/C16H10N4O4S/c21-15-10-5-2-1-4-9(10)13(16(22)23)19-20(15)8-12-17-18-14(24-12)11-6-3-7-25-11/h1-7H,8H2,(H,22,23)/p-1