2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-4,6-dimethyl-nicotinonitrile Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=C(C=CC(=C2)C(=O)C)OC)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=C(C=CC(=C2)C(=O)C)OC)C

InChI

InChI=1S/C18H18N2O2S/c1-11-7-12(2)20-18(16(11)9-19)23-10-15-8-14(13(3)21)5-6-17(15)22-4/h5-8H,10H2,1-4H3