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

Systemtic Name: 5-ethanoyl-6-methyl-2-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[[2-keto-2-(2,4,5-trimethylphenyl)ethyl]thio]-6-methyl-nicotinonitrile Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CSC2=NC(=C(C=C2C#N)C(=O)C)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CSC2=NC(=C(C=C2C#N)C(=O)C)C)C)C

InChI

InChI=1S/C20H20N2O2S/c1-11-6-13(3)17(7-12(11)2)19(24)10-25-20-16(9-21)8-18(15(5)23)14(4)22-20/h6-8H,10H2,1-5H3