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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC(=CS2)C3=CC=C(C=C3)Br)C(C4=CC=CC=C4)C(C#N)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC(=CS2)C3=CC=C(C=C3)Br)C(C4=CC=CC=C4)C(C#N)C#N

InChI

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