(4-methylsulfanylphenyl) 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-methylsulfanylphenyl) 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-methylsulfanylphenyl) 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [4-(methylthio)phenyl] ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3S/c1-3-20-17(21)15-7-5-4-6-14(15)16(19-20)18(22)23-12-8-10-13(24-2)11-9-12/h4-11H,3H2,1-2H3