(4-methylsulfanylphenyl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [4-(methylthio)benzyl] ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H16N2O3S/c1-24-13-8-6-12(7-9-13)11-23-17(21)10-16-14-4-2-3-5-15(14)18(22)20-19-16/h2-9H,10-11H2,1H3,(H,20,22)