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

Systemtic Name: (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic 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-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C16H10N4O4S MolecularWeight: 354.34

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC3=NN=C(O3)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC3=NN=C(O3)C4=CC=CS4

InChI

InChI=1S/C16H10N4O4S/c21-14-10-5-2-1-4-9(10)13(18-19-14)16(22)23-8-12-17-20-15(24-12)11-6-3-7-25-11/h1-7H,8H2,(H,19,21)