[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C23H15N5O4S MolecularWeight: 457.4613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC(=O)NC4=CC=CC5=NSN=C54

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC(=O)NC4=CC=CC5=NSN=C54

InChI

InChI=1S/C23H15N5O4S/c29-19(24-17-11-6-12-18-21(17)27-33-26-18)13-32-23(31)20-15-9-4-5-10-16(15)22(30)28(25-20)14-7-2-1-3-8-14/h1-12H,13H2,(H,24,29)