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

Systemtic Name: (4-methylsulfanylphenyl) 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: (4-methylsulfanylphenyl) 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [4-(methylthio)phenyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=C(C=C3)SC

InChI

InChI=1S/C19H18N2O3S/c1-12(2)21-18(22)16-7-5-4-6-15(16)17(20-21)19(23)24-13-8-10-14(25-3)11-9-13/h4-12H,1-3H3