1-[1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)pyrazol-4-yl]-4-oxidanyl-butan-1-one

Systemtic Name: 1-[1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)pyrazol-4-yl]-4-oxidanyl-butan-1-one Openeye Name: 1-[1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)pyrazol-4-yl]-4-hydroxy-butan-1-one CAS Name: 1-[1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)-4-pyrazolyl]-4-hydroxy-1-butanone IUPAC Name: 1-[1-(4-bromophenyl)-5-(4-methylsulfonylphenyl)pyrazol-4-yl]-4-hydroxybutan-1-one Traditional Name: 1-[1-(4-bromophenyl)-5-(4-mesylphenyl)pyrazol-4-yl]-4-hydroxy-butan-1-one Formula: C20H19BrN2O4S MolecularWeight: 463.34486

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C=NN2C3=CC=C(C=C3)Br)C(=O)CCCO

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C=NN2C3=CC=C(C=C3)Br)C(=O)CCCO

InChI

InChI=1S/C20H19BrN2O4S/c1-28(26,27)17-10-4-14(5-11-17)20-18(19(25)3-2-12-24)13-22-23(20)16-8-6-15(21)7-9-16/h4-11,13,24H,2-3,12H2,1H3