4-[(1R)-2,2-dicyano-1-phenyl-ethyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-olate

Systemtic Name: 4-[(1R)-2,2-dicyano-1-phenyl-ethyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-olate Openeye Name: 4-[(1R)-2,2-dicyano-1-phenyl-ethyl]-5-phenyl-2-(4-phenylthiazol-2-yl)pyrazol-3-olate CAS Name: 4-[(1R)-2,2-dicyano-1-phenylethyl]-5-phenyl-2-(4-phenyl-2-thiazolyl)-3-pyrazololate IUPAC Name: 4-[(1R)-2,2-dicyano-1-phenylethyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-olate Traditional Name: 4-[(1R)-2,2-dicyano-1-phenyl-ethyl]-5-phenyl-2-(4-phenylthiazol-2-yl)pyrazol-3-olate Formula: C28H18N5OS- MolecularWeight: 472.54042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)N3C(=C(C(=N3)C4=CC=CC=C4)[C@@H](C5=CC=CC=C5)C(C#N)C#N)[O-]

InChI

InChI=1S/C28H19N5OS/c29-16-22(17-30)24(20-12-6-2-7-13-20)25-26(21-14-8-3-9-15-21)32-33(27(25)34)28-31-23(18-35-28)19-10-4-1-5-11-19/h1-15,18,22,24,34H/p-1/t24-/m0/s1