2-(4-chlorophenyl)sulfanylethyl 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCO)C(=O)OCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCO)C(=O)OCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClN2O4S/c20-13-5-7-14(8-6-13)27-12-11-26-19(25)17-15-3-1-2-4-16(15)18(24)22(21-17)9-10-23/h1-8,23H,9-12H2