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

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethylsulfanyl)phenyl]amino]ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(2-benzylsulfanylanilino)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-oxo-2-[2-(phenylmethylthio)anilino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-[2-(benzylthio)anilino]-2-keto-ethyl] ester Formula: C24H19N3O4S MolecularWeight: 445.49036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=CC=C2NC(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=CC=C2NC(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C24H19N3O4S/c28-21(14-31-24(30)22-17-10-4-5-11-18(17)23(29)27-26-22)25-19-12-6-7-13-20(19)32-15-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,25,28)(H,27,29)