4,4-dimethyl-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)pentanenitrile

Systemtic Name: 4,4-dimethyl-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)pentanenitrile Openeye Name: 4,4-dimethyl-3-oxo-2-(4-phenylthiazol-2-yl)pentanenitrile CAS Name: 4,4-dimethyl-3-oxo-2-(4-phenyl-2-thiazolyl)pentanenitrile IUPAC Name: 4,4-dimethyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)pentanenitrile Traditional Name: 3-keto-4,4-dimethyl-2-(4-phenylthiazol-2-yl)valeronitrile Formula: C16H16N2OS MolecularWeight: 284.37604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C#N)C1=NC(=CS1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)C(C#N)C1=NC(=CS1)C2=CC=CC=C2

InChI

InChI=1S/C16H16N2OS/c1-16(2,3)14(19)12(9-17)15-18-13(10-20-15)11-7-5-4-6-8-11/h4-8,10,12H,1-3H3