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

Systemtic Name: 3-(4-bromophenyl)-2-cyano-3-[3-oxidanylidene-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]propanamide Openeye Name: 3-(4-bromophenyl)-2-cyano-3-[3-oxo-5-phenyl-2-(4-phenylthiazol-2-yl)-1H-pyrazol-4-yl]propanamide CAS Name: 3-(4-bromophenyl)-2-cyano-3-[3-oxo-5-phenyl-2-(4-phenyl-2-thiazolyl)-1H-pyrazol-4-yl]propanamide IUPAC Name: 3-(4-bromophenyl)-2-cyano-3-[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]propanamide Traditional Name: 3-(4-bromophenyl)-2-cyano-3-[5-keto-3-phenyl-1-(4-phenylthiazol-2-yl)-3-pyrazolin-4-yl]propionamide Formula: C28H20BrN5O2S MolecularWeight: 570.4597

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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(=O)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(=O)N

InChI

InChI=1S/C28H20BrN5O2S/c29-20-13-11-18(12-14-20)23(21(15-30)26(31)35)24-25(19-9-5-2-6-10-19)33-34(27(24)36)28-32-22(16-37-28)17-7-3-1-4-8-17/h1-14,16,21,23,33H,(H2,31,35)