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

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (2-phenylthiazol-4-yl)methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (2-phenylthiazol-4-yl)methyl ester Formula: C25H17N3O3S MolecularWeight: 439.48578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H17N3O3S/c29-24-21-14-8-7-13-20(21)22(27-28(24)19-11-5-2-6-12-19)25(30)31-15-18-16-32-23(26-18)17-9-3-1-4-10-17/h1-14,16H,15H2