2-[3-bromanyl-4-(4-chloranylpyrazol-1-yl)phenyl]propanenitrile

Systemtic Name: 2-[3-bromanyl-4-(4-chloranylpyrazol-1-yl)phenyl]propanenitrile Openeye Name: 2-[3-bromo-4-(4-chloropyrazol-1-yl)phenyl]propanenitrile CAS Name: 2-[3-bromo-4-(4-chloro-1-pyrazolyl)phenyl]propanenitrile IUPAC Name: 2-[3-bromo-4-(4-chloropyrazol-1-yl)phenyl]propanenitrile Traditional Name: 2-[3-bromo-4-(4-chloropyrazol-1-yl)phenyl]propionitrile Formula: C12H9BrClN3 MolecularWeight: 310.57696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=CC(=C(C=C1)N2C=C(C=N2)Cl)Br

Isomeric SMILES

CC(C#N)C1=CC(=C(C=C1)N2C=C(C=N2)Cl)Br

InChI

InChI=1S/C12H9BrClN3/c1-8(5-15)9-2-3-12(11(13)4-9)17-7-10(14)6-16-17/h2-4,6-8H,1H3