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

Systemtic Name: [2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylanilino)ethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-keto-2-[2-(phenylthio)anilino]ethyl] ester Formula: C23H17N3O4S MolecularWeight: 431.46378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

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