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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]phthalazine-1-carboxylate Openeye Name: 4-oxo-3-[2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl]phthalazine-1-carboxylate CAS Name: 4-oxo-3-[2-oxo-2-[(4-phenyl-2-thiazolyl)amino]ethyl]-1-phthalazinecarboxylate IUPAC Name: 4-oxo-3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]phthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-keto-2-[(4-phenylthiazol-2-yl)amino]ethyl]phthalazine-1-carboxylate Formula: C20H13N4O4S- MolecularWeight: 405.40662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

InChI

InChI=1S/C20H14N4O4S/c25-16(22-20-21-15(11-29-20)12-6-2-1-3-7-12)10-24-18(26)14-9-5-4-8-13(14)17(23-24)19(27)28/h1-9,11H,10H2,(H,27,28)(H,21,22,25)/p-1