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

Systemtic Name: methyl 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: methyl 4-oxo-3-[[2-(p-tolyl)thiazol-4-yl]methyl]phthalazine-1-carboxylate CAS Name: 3-[[2-(4-methylphenyl)-4-thiazolyl]methyl]-4-oxo-1-phthalazinecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[[2-(p-tolyl)thiazol-4-yl]methyl]phthalazine-1-carboxylic acid methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)OC

InChI

InChI=1S/C21H17N3O3S/c1-13-7-9-14(10-8-13)19-22-15(12-28-19)11-24-20(25)17-6-4-3-5-16(17)18(23-24)21(26)27-2/h3-10,12H,11H2,1-2H3