4-oxidanylidene-3-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]phthalazine-1-carboxylate

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]phthalazine-1-carboxylate Openeye Name: 4-oxo-3-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]phthalazine-1-carboxylate CAS Name: 4-oxo-3-[2-oxo-2-[2-(phenylthio)anilino]ethyl]-1-phthalazinecarboxylate IUPAC Name: 4-oxo-3-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]phthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-keto-2-[2-(phenylthio)anilino]ethyl]phthalazine-1-carboxylate Formula: C23H16N3O4S- MolecularWeight: 430.45584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

InChI

InChI=1S/C23H17N3O4S/c27-20(24-18-12-6-7-13-19(18)31-15-8-2-1-3-9-15)14-26-22(28)17-11-5-4-10-16(17)21(25-26)23(29)30/h1-13H,14H2,(H,24,27)(H,29,30)/p-1