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

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H17N3O4S/c23-16(20-10-11-27-13-6-2-1-3-7-13)12-26-19(25)17-14-8-4-5-9-15(14)18(24)22-21-17/h1-9H,10-12H2,(H,20,23)(H,22,24)