4,6-dimethyl-2-(1-oxidanylidene-1-phenyl-propan-2-yl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-(1-oxidanylidene-1-phenyl-propan-2-yl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-(1-methyl-2-oxo-2-phenyl-ethyl)sulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[(1-oxo-1-phenylpropan-2-yl)thio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylpyridine-3-carbonitrile Traditional Name: 2-[(2-keto-1-methyl-2-phenyl-ethyl)thio]-4,6-dimethyl-nicotinonitrile Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC(C)C(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SC(C)C(=O)C2=CC=CC=C2)C

InChI

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