4,5,6-trimethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[2-(3-methylphenoxy)ethylthio]-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyridine-3-carbonitrile Traditional Name: 4,5,6-trimethyl-2-[2-(3-methylphenoxy)ethylthio]nicotinonitrile Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCSC2=NC(=C(C(=C2C#N)C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCSC2=NC(=C(C(=C2C#N)C)C)C

InChI

InChI=1S/C18H20N2OS/c1-12-6-5-7-16(10-12)21-8-9-22-18-17(11-19)14(3)13(2)15(4)20-18/h5-7,10H,8-9H2,1-4H3