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

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H12N4O4S MolecularWeight: 368.36658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C17H12N4O4S/c1-21-16(22)11-6-3-2-5-10(11)14(19-21)17(23)24-9-13-18-15(20-25-13)12-7-4-8-26-12/h2-8H,9H2,1H3