1-(5-bromanylthiophen-2-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Openeye Name: 1-(5-bromo-2-thienyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone CAS Name: 1-(5-bromo-2-thiophenyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-(5-bromothiophen-2-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone Traditional Name: 1-(5-bromo-2-thienyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Formula: C11H10BrN3O3S MolecularWeight: 344.1844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)C2=CC=C(S2)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)C2=CC=C(S2)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C11H10BrN3O3S/c1-6-11(15(17)18)7(2)14(13-6)5-8(16)9-3-4-10(12)19-9/h3-4H,5H2,1-2H3