4-bromanyl-2-[4-(2-methylpropylsulfonyl)phenyl]phthalazin-1-one

Systemtic Name: 4-bromanyl-2-[4-(2-methylpropylsulfonyl)phenyl]phthalazin-1-one Openeye Name: 4-bromo-2-(4-isobutylsulfonylphenyl)phthalazin-1-one CAS Name: 4-bromo-2-[4-(2-methylpropylsulfonyl)phenyl]-1-phthalazinone IUPAC Name: 4-bromo-2-[4-(2-methylpropylsulfonyl)phenyl]phthalazin-1-one Traditional Name: 4-bromo-2-(4-isobutylsulfonylphenyl)phthalazin-1-one Formula: C18H17BrN2O3S MolecularWeight: 421.30818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)Br

Isomeric SMILES

CC(C)CS(=O)(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)Br

InChI

InChI=1S/C18H17BrN2O3S/c1-12(2)11-25(23,24)14-9-7-13(8-10-14)21-18(22)16-6-4-3-5-15(16)17(19)20-21/h3-10,12H,11H2,1-2H3