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

Systemtic Name: [5-(5-bromanylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [5-(5-bromo-2-thiophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid [5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C20H17BrN4O4S MolecularWeight: 489.34238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NN=C(O3)C4=CC=C(S4)Br

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NN=C(O3)C4=CC=C(S4)Br

InChI

InChI=1S/C20H17BrN4O4S/c1-2-3-10-25-19(26)13-7-5-4-6-12(13)17(24-25)20(27)28-11-16-22-23-18(29-16)14-8-9-15(21)30-14/h4-9H,2-3,10-11H2,1H3