2-(4-bromophenyl)sulfonyl-4-ethyl-5-methyl-1H-pyrazol-3-one

Systemtic Name: 2-(4-bromophenyl)sulfonyl-4-ethyl-5-methyl-1H-pyrazol-3-one Openeye Name: 2-(4-bromophenyl)sulfonyl-4-ethyl-5-methyl-1H-pyrazol-3-one CAS Name: 2-(4-bromophenyl)sulfonyl-4-ethyl-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-(4-bromophenyl)sulfonyl-4-ethyl-5-methyl-1H-pyrazol-3-one Traditional Name: 2-brosyl-4-ethyl-5-methyl-3-pyrazolin-3-one Formula: C12H13BrN2O3S MolecularWeight: 345.21222

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NN(C1=O)S(=O)(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CCC1=C(NN(C1=O)S(=O)(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C12H13BrN2O3S/c1-3-11-8(2)14-15(12(11)16)19(17,18)10-6-4-9(13)5-7-10/h4-7,14H,3H2,1-2H3