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

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-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-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NOC(=N3)C4=CSC=C4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NOC(=N3)C4=CSC=C4

InChI

InChI=1S/C19H16N4O4S/c1-2-8-23-18(24)14-6-4-3-5-13(14)16(21-23)19(25)26-10-15-20-17(27-22-15)12-7-9-28-11-12/h3-7,9,11H,2,8,10H2,1H3