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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=N1)SCC(=O)C2=CC=C(C=C2)C)C#N)C

Isomeric SMILES

CCC1=C(C=C(C(=N1)SCC(=O)C2=CC=C(C=C2)C)C#N)C

InChI

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