5-ethanoyl-6-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[2-(2-methylphenoxy)ethylthio]-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]pyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-[2-(2-methylphenoxy)ethylthio]nicotinonitrile Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCSC2=NC(=C(C=C2C#N)C(=O)C)C

Isomeric SMILES

CC1=CC=CC=C1OCCSC2=NC(=C(C=C2C#N)C(=O)C)C

InChI

InChI=1S/C18H18N2O2S/c1-12-6-4-5-7-17(12)22-8-9-23-18-15(11-19)10-16(14(3)21)13(2)20-18/h4-7,10H,8-9H2,1-3H3