4,5,6-trimethyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(p-tolyl)ethyl]thio]-4,5,6-trimethyl-nicotinonitrile Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC(=C(C(=C2C#N)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC(=C(C(=C2C#N)C)C)C

InChI

InChI=1S/C18H18N2OS/c1-11-5-7-15(8-6-11)17(21)10-22-18-16(9-19)13(3)12(2)14(4)20-18/h5-8H,10H2,1-4H3