2-[(1S)-3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-(furan-2-yl)-3-oxidanylidene-propyl]propanedinitrile

Systemtic Name: 2-[(1S)-3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-(furan-2-yl)-3-oxidanylidene-propyl]propanedinitrile Openeye Name: 2-[(1S)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-(2-furyl)-3-oxo-propyl]propanedinitrile CAS Name: 2-[(1S)-3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-(2-furanyl)-3-oxopropyl]propanedinitrile IUPAC Name: 2-[(1S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(furan-2-yl)-3-oxopropyl]propanedinitrile Traditional Name: 2-[(1S)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-(2-furyl)-3-keto-propyl]malononitrile Formula: C15H13BrN4O2 MolecularWeight: 361.19332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)CC(C2=CC=CO2)C(C#N)C#N)C)Br

Isomeric SMILES

CC1=C(C(=NN1C(=O)C[C@H](C2=CC=CO2)C(C#N)C#N)C)Br

InChI

InChI=1S/C15H13BrN4O2/c1-9-15(16)10(2)20(19-9)14(21)6-12(11(7-17)8-18)13-4-3-5-22-13/h3-5,11-12H,6H2,1-2H3/t12-/m0/s1