(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C23H20ClN3O3S MolecularWeight: 453.9412

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(N=C4C=C(C=CC4=C3)SC)Cl

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(N=C4C=C(C=CC4=C3)SC)Cl

InChI

InChI=1S/C23H20ClN3O3S/c1-3-10-27-22(28)18-7-5-4-6-17(18)20(26-27)23(29)30-13-15-11-14-8-9-16(31-2)12-19(14)25-21(15)24/h4-9,11-12H,3,10,13H2,1-2H3