4-bromanyl-3,5-dimethyl-1-[2-(phenylsulfonyl)ethyl]pyrazole

Systemtic Name: 4-bromanyl-3,5-dimethyl-1-[2-(phenylsulfonyl)ethyl]pyrazole Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-4-bromo-3,5-dimethyl-pyrazole CAS Name: 1-[2-(benzenesulfonyl)ethyl]-4-bromo-3,5-dimethylpyrazole IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-4-bromo-3,5-dimethylpyrazole Traditional Name: 1-(2-besylethyl)-4-bromo-3,5-dimethyl-pyrazole Formula: C13H15BrN2O2S MolecularWeight: 343.2394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCS(=O)(=O)C2=CC=CC=C2)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCS(=O)(=O)C2=CC=CC=C2)C)Br

InChI

InChI=1S/C13H15BrN2O2S/c1-10-13(14)11(2)16(15-10)8-9-19(17,18)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3