4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(p-tolyl)ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2OS/c1-11-4-6-14(7-5-11)16(20)10-21-17-15(9-18)12(2)8-13(3)19-17/h4-8H,10H2,1-3H3