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

Systemtic Name: (2,6-dimethylphenyl) 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoate Openeye Name: (2,6-dimethylphenyl) 2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]acetic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]acetic acid (2,6-dimethylphenyl) ester Formula: C28H22N2O2S MolecularWeight: 450.55148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C28H22N2O2S/c1-19-10-9-11-20(2)27(19)32-26(31)18-33-28-24(17-29)23(21-12-5-3-6-13-21)16-25(30-28)22-14-7-4-8-15-22/h3-16H,18H2,1-2H3