3-[3-(2-bromophenyl)-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-(2-bromophenyl)-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-(2-bromophenyl)-4-[(E)-(2-pyridylhydrazono)methyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(2-bromophenyl)-4-[(E)-(2-pyridinylhydrazinylidene)methyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-(2-bromophenyl)-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[3-(2-bromophenyl)-4-[(E)-(2-pyridylhydrazono)methyl]pyrazol-1-yl]propionitrile Formula: C18H15BrN6 MolecularWeight: 395.2559

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NN(C=C2C=NNC3=CC=CC=N3)CCC#N)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NN(C=C2/C=N/NC3=CC=CC=N3)CCC#N)Br

InChI

InChI=1S/C18H15BrN6/c19-16-7-2-1-6-15(16)18-14(13-25(24-18)11-5-9-20)12-22-23-17-8-3-4-10-21-17/h1-4,6-8,10,12-13H,5,11H2,(H,21,23)/b22-12+