4-bromanyl-5-(3-methylsulfonylphenyl)-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 4-bromanyl-5-(3-methylsulfonylphenyl)-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-4-bromo-5-(3-methylsulfonylphenyl)pyridazin-3-one CAS Name: 4-bromo-5-(3-methylsulfonylphenyl)-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-4-bromo-5-(3-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-benzyl-4-bromo-5-(3-mesylphenyl)pyridazin-3-one Formula: C18H15BrN2O3S MolecularWeight: 419.2923

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C2=C(C(=O)N(N=C2)CC3=CC=CC=C3)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C2=C(C(=O)N(N=C2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C18H15BrN2O3S/c1-25(23,24)15-9-5-8-14(10-15)16-11-20-21(18(22)17(16)19)12-13-6-3-2-4-7-13/h2-11H,12H2,1H3