3-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[[2-chloro-7-(methylthio)-3-quinolinyl]methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[[2-chloro-7-(methylthio)-3-quinolyl]methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H14ClN3O3S MolecularWeight: 411.86146

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)Cl

InChI

InChI=1S/C20H14ClN3O3S/c1-28-13-7-6-11-8-12(18(21)22-16(11)9-13)10-24-19(25)15-5-3-2-4-14(15)17(23-24)20(26)27/h2-9H,10H2,1H3,(H,26,27)