4-[2-(6-methoxyhexylsulfanyl)piperidin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(6-methoxyhexylsulfanyl)piperidin-1-yl]benzenecarbonitrile Openeye Name: 4-[2-(6-methoxyhexylsulfanyl)-1-piperidyl]benzonitrile CAS Name: 4-[2-(6-methoxyhexylthio)-1-piperidinyl]benzonitrile IUPAC Name: 4-[2-(6-methoxyhexylsulfanyl)piperidin-1-yl]benzonitrile Traditional Name: 4-[2-(6-methoxyhexylthio)piperidino]benzonitrile Formula: C19H28N2OS MolecularWeight: 332.50342

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCSC1CCCCN1C2=CC=C(C=C2)C#N

Isomeric SMILES

COCCCCCCSC1CCCCN1C2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H28N2OS/c1-22-14-6-2-3-7-15-23-19-8-4-5-13-21(19)18-11-9-17(16-20)10-12-18/h9-12,19H,2-8,13-15H2,1H3