4,6-dimethyl-2-(4-phenoxybutylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-(4-phenoxybutylsulfanyl)pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-(4-phenoxybutylsulfanyl)pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-(4-phenoxybutylthio)-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-(4-phenoxybutylsulfanyl)pyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-(4-phenoxybutylthio)nicotinonitrile Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCCCOC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCCCOC2=CC=CC=C2)C

InChI

InChI=1S/C18H20N2OS/c1-14-12-15(2)20-18(17(14)13-19)22-11-7-6-10-21-16-8-4-3-5-9-16/h3-5,8-9,12H,6-7,10-11H2,1-2H3