(2R)-2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanyl-3-methyl-butanoic acid

Systemtic Name: (2R)-2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanyl-3-methyl-butanoic acid Openeye Name: (2R)-2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]-3-methyl-butanoic acid CAS Name: (2R)-2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-3-methylbutanoic acid IUPAC Name: (2R)-2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl-3-methylbutanoic acid Traditional Name: (2R)-2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]-3-methyl-butyric acid Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)[C@H](C(=O)O)SC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C23H20N2O2S/c1-15(2)21(23(26)27)28-22-19(14-24)18(16-9-5-3-6-10-16)13-20(25-22)17-11-7-4-8-12-17/h3-13,15,21H,1-2H3,(H,26,27)/t21-/m1/s1