2-[(4-bromophenyl)-[5-oxidanylidene-3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-4H-pyrazol-4-yl]methyl]propanedinitrile

Systemtic Name: 2-[(4-bromophenyl)-[5-oxidanylidene-3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-4H-pyrazol-4-yl]methyl]propanedinitrile Openeye Name: 2-[(4-bromophenyl)-[5-oxo-3-phenyl-1-(4-phenylthiazol-2-yl)-4H-pyrazol-4-yl]methyl]propanedinitrile CAS Name: 2-[(4-bromophenyl)-[5-oxo-3-phenyl-1-(4-phenyl-2-thiazolyl)-4H-pyrazol-4-yl]methyl]propanedinitrile IUPAC Name: 2-[(4-bromophenyl)-[5-oxo-3-phenyl-1-(4-phenyl-1,3-thiazol-2-yl)-4H-pyrazol-4-yl]methyl]propanedinitrile Traditional Name: 2-[(4-bromophenyl)-[5-keto-3-phenyl-1-(4-phenylthiazol-2-yl)-2-pyrazolin-4-yl]methyl]malononitrile Formula: C28H18BrN5OS MolecularWeight: 552.44442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(C(=N3)C4=CC=CC=C4)C(C5=CC=C(C=C5)Br)C(C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(C(=N3)C4=CC=CC=C4)C(C5=CC=C(C=C5)Br)C(C#N)C#N

InChI

InChI=1S/C28H18BrN5OS/c29-22-13-11-19(12-14-22)24(21(15-30)16-31)25-26(20-9-5-2-6-10-20)33-34(27(25)35)28-32-23(17-36-28)18-7-3-1-4-8-18/h1-14,17,21,24-25H