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

Systemtic Name: 2-[(4-bromophenyl)-[3-methyl-5-oxidanylidene-1-(4-phenyl-1,3-thiazol-2-yl)-4H-pyrazol-4-yl]methyl]propanedinitrile Openeye Name: 2-[(4-bromophenyl)-[3-methyl-5-oxo-1-(4-phenylthiazol-2-yl)-4H-pyrazol-4-yl]methyl]propanedinitrile CAS Name: 2-[(4-bromophenyl)-[3-methyl-5-oxo-1-(4-phenyl-2-thiazolyl)-4H-pyrazol-4-yl]methyl]propanedinitrile IUPAC Name: 2-[(4-bromophenyl)-[3-methyl-5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-4H-pyrazol-4-yl]methyl]propanedinitrile Traditional Name: 2-[(4-bromophenyl)-[5-keto-3-methyl-1-(4-phenylthiazol-2-yl)-2-pyrazolin-4-yl]methyl]malononitrile Formula: C23H16BrN5OS MolecularWeight: 490.37504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(C2=CC=C(C=C2)Br)C(C#N)C#N)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1C(C2=CC=C(C=C2)Br)C(C#N)C#N)C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C23H16BrN5OS/c1-14-20(21(17(11-25)12-26)16-7-9-18(24)10-8-16)22(30)29(28-14)23-27-19(13-31-23)15-5-3-2-4-6-15/h2-10,13,17,20-21H,1H3