S-(3-cyano-6-phenyl-pyridin-2-yl) 2,2-dimethylpropanethioate

Systemtic Name: S-(3-cyano-6-phenyl-pyridin-2-yl) 2,2-dimethylpropanethioate Openeye Name: S-(3-cyano-6-phenyl-2-pyridyl) 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic acid S-(3-cyano-6-phenyl-2-pyridinyl) ester IUPAC Name: S-(3-cyano-6-phenylpyridin-2-yl) 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-(3-cyano-6-phenyl-2-pyridyl) ester Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2OS/c1-17(2,3)16(20)21-15-13(11-18)9-10-14(19-15)12-7-5-4-6-8-12/h4-10H,1-3H3