5-azanyl-2-[(3-bromanyl-4-methylsulfonyl-phenyl)methyl]-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-2-[(3-bromanyl-4-methylsulfonyl-phenyl)methyl]-1H-pyrazol-3-one Openeye Name: 5-amino-2-[(3-bromo-4-methylsulfonyl-phenyl)methyl]-1H-pyrazol-3-one CAS Name: 5-amino-2-[(3-bromo-4-methylsulfonylphenyl)methyl]-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[(3-bromo-4-methylsulfonylphenyl)methyl]-1H-pyrazol-3-one Traditional Name: 5-amino-2-(3-bromo-4-mesyl-benzyl)-3-pyrazolin-3-one Formula: C11H12BrN3O3S MolecularWeight: 346.20028

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)CN2C(=O)C=C(N2)N)Br

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)CN2C(=O)C=C(N2)N)Br

InChI

InChI=1S/C11H12BrN3O3S/c1-19(17,18)9-3-2-7(4-8(9)12)6-15-11(16)5-10(13)14-15/h2-5,14H,6,13H2,1H3