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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C20H18N2O3S2/c1-2-22-18(23)16-6-4-3-5-15(16)17(21-22)19(24)25-14-9-7-13(8-10-14)20-26-11-12-27-20/h3-10,20H,2,11-12H2,1H3