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

Systemtic Name: 2-[(1S)-3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-1-(4-bromophenyl)-3-oxidanylidene-propyl]propanedinitrile Openeye Name: 2-[(1S)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-(4-bromophenyl)-3-oxo-propyl]propanedinitrile CAS Name: 2-[(1S)-3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-(4-bromophenyl)-3-oxopropyl]propanedinitrile IUPAC Name: 2-[(1S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(4-bromophenyl)-3-oxopropyl]propanedinitrile Traditional Name: 2-[(1S)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-(4-bromophenyl)-3-keto-propyl]malononitrile Formula: C17H14Br2N4O MolecularWeight: 450.12726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14Br2N4O/c1-10-17(19)11(2)23(22-10)16(24)7-15(13(8-20)9-21)12-3-5-14(18)6-4-12/h3-6,13,15H,7H2,1-2H3/t15-/m1/s1