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

Systemtic Name: 4-oxidanylidene-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[(2-phenylthiazol-4-yl)methyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[(2-phenyl-4-thiazolyl)methyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[(2-phenylthiazol-4-yl)methyl]phthalazine-1-carboxylic acid Formula: C19H13N3O3S MolecularWeight: 363.38982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13N3O3S/c23-18-15-9-5-4-8-14(15)16(19(24)25)21-22(18)10-13-11-26-17(20-13)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,24,25)