(4-methylsulfanylphenyl)methyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [4-(methylthio)benzyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H20N2O3S/c1-13(2)22-19(23)17-7-5-4-6-16(17)18(21-22)20(24)25-12-14-8-10-15(26-3)11-9-14/h4-11,13H,12H2,1-3H3