3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)benzenesulfinate

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)benzenesulfinate Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)benzenesulfinate CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)benzenesulfinate IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)benzenesulfinate Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)benzenesulfinate Formula: C11H10BrN2O2S- MolecularWeight: 314.1783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=CC=C2)S(=O)[O-])C)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=CC=C2)S(=O)[O-])C)Br

InChI

InChI=1S/C11H11BrN2O2S/c1-7-11(12)8(2)14(13-7)9-4-3-5-10(6-9)17(15)16/h3-6H,1-2H3,(H,15,16)/p-1