4-bromanyl-3,5-dimethyl-1-(phenylmethyl)sulfonyl-pyrazole

Systemtic Name: 4-bromanyl-3,5-dimethyl-1-(phenylmethyl)sulfonyl-pyrazole Openeye Name: 1-benzylsulfonyl-4-bromo-3,5-dimethyl-pyrazole CAS Name: 4-bromo-3,5-dimethyl-1-(phenylmethyl)sulfonylpyrazole IUPAC Name: 1-benzylsulfonyl-4-bromo-3,5-dimethylpyrazole Traditional Name: 1-benzylsulfonyl-4-bromo-3,5-dimethyl-pyrazole Formula: C12H13BrN2O2S MolecularWeight: 329.21282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)CC2=CC=CC=C2)C)Br

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)CC2=CC=CC=C2)C)Br

InChI

InChI=1S/C12H13BrN2O2S/c1-9-12(13)10(2)15(14-9)18(16,17)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3