[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-(2-chlorophenyl)thiazol-4-yl]methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [2-(2-chlorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-(2-chlorophenyl)thiazol-4-yl]methyl ester Formula: C22H18ClN3O3S MolecularWeight: 439.91462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4Cl

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H18ClN3O3S/c1-2-11-26-21(27)16-8-4-3-7-15(16)19(25-26)22(28)29-12-14-13-30-20(24-14)17-9-5-6-10-18(17)23/h3-10,13H,2,11-12H2,1H3