[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C20H14BrN3O4S MolecularWeight: 472.31186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)COC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H14BrN3O4S/c1-27-16-7-6-11(21)8-15(16)19-22-12(10-29-19)9-28-20(26)17-13-4-2-3-5-14(13)18(25)24-23-17/h2-8,10H,9H2,1H3,(H,24,25)