4-bromanyl-1-methyl-5-[(4-methylphenyl)sulfonylmethyl]-2-phenyl-pyrazol-3-one

Systemtic Name: 4-bromanyl-1-methyl-5-[(4-methylphenyl)sulfonylmethyl]-2-phenyl-pyrazol-3-one Openeye Name: 4-bromo-1-methyl-2-phenyl-5-(p-tolylsulfonylmethyl)pyrazol-3-one CAS Name: 4-bromo-1-methyl-5-[(4-methylphenyl)sulfonylmethyl]-2-phenyl-3-pyrazolone IUPAC Name: 4-bromo-1-methyl-5-[(4-methylphenyl)sulfonylmethyl]-2-phenylpyrazol-3-one Traditional Name: 4-bromo-1-methyl-2-phenyl-5-(tosylmethyl)-3-pyrazolin-3-one Formula: C18H17BrN2O3S MolecularWeight: 421.30818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C(=O)N(N2C)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C(=O)N(N2C)C3=CC=CC=C3)Br

InChI

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