(4-bromophenyl) 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: (4-bromophenyl) 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: (4-bromophenyl) 2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]acetic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]acetic acid (4-bromophenyl) ester Formula: C26H17BrN2O2S MolecularWeight: 501.39438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)OC3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)OC3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C26H17BrN2O2S/c27-20-11-13-21(14-12-20)31-25(30)17-32-26-23(16-28)22(18-7-3-1-4-8-18)15-24(29-26)19-9-5-2-6-10-19/h1-15H,17H2