3-[3-(4-bromophenyl)-4-[(5-oxidanylidene-2-phenyl-1,3-oxazol-4-ylidene)methyl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-(4-bromophenyl)-4-[(5-oxidanylidene-2-phenyl-1,3-oxazol-4-ylidene)methyl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-(4-bromophenyl)-4-[(5-oxo-2-phenyl-oxazol-4-ylidene)methyl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(4-bromophenyl)-4-[(5-oxo-2-phenyl-4-oxazolylidene)methyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-(4-bromophenyl)-4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[3-(4-bromophenyl)-4-[(5-keto-2-phenyl-2-oxazolin-4-ylidene)methyl]pyrazol-1-yl]propionitrile Formula: C22H15BrN4O2 MolecularWeight: 447.2841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CC3=CN(N=C3C4=CC=C(C=C4)Br)CCC#N)C(=O)O2

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CC3=CN(N=C3C4=CC=C(C=C4)Br)CCC#N)C(=O)O2

InChI

InChI=1S/C22H15BrN4O2/c23-18-9-7-15(8-10-18)20-17(14-27(26-20)12-4-11-24)13-19-22(28)29-21(25-19)16-5-2-1-3-6-16/h1-3,5-10,13-14H,4,12H2