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

Systemtic Name: [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [2-(2-chlorophenyl)thiazol-4-yl]methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [2-(2-chlorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [2-(2-chlorophenyl)thiazol-4-yl]methyl ester Formula: C25H16ClN3O3S MolecularWeight: 473.93084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CSC(=N4)C5=CC=CC=C5Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CSC(=N4)C5=CC=CC=C5Cl

InChI

InChI=1S/C25H16ClN3O3S/c26-21-13-7-6-12-20(21)23-27-16(15-33-23)14-32-25(31)22-18-10-4-5-11-19(18)24(30)29(28-22)17-8-2-1-3-9-17/h1-13,15H,14H2